3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-
TL;DR: 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- (CAS 131380-54-6) is a chemical compound with molecular formula C19H28O5 and molecular weight 336.19366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (E,2R)-5-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
Also Known As: 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-, [(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (E,2R)-5-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
Technical Specifications
| Molecular Formula | C19H28O5 |
| Molecular Weight | 336.19366 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.19366 Da |
| Heavy Atoms | 24 |
| Complexity | 581.0 |
| SMILES | CC1=C(C(=O)C[C@@H]1OC(=O)[C@H](/C=C/C(C)(C)O)C(C)(C)O)CC=C |
| InChIKey | PGPIRLXTIYIDBJ-OOCSTFOJSA-N |
Chemical Property Profile of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-
Property Insights of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-. Following Lipinski's Rule of Five, 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-?
The CAS number of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- is 131380-54-6.
What is the molecular formula of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-?
The molecular formula of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- is C19H28O5.
What is the molecular weight of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-?
The molecular weight of 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- is 336.19366 g/mol.
Where can I buy 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-?
You can request a quote for 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))-?
Yes, CoreyChem provides custom synthesis services for 3-Hexenoic acid, 5-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (S-(R*,S*-(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.