trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one
TL;DR: trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one (CAS 151484-84-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z,6R,7R)-3,7-dimethyl-6-(3-methylbut-2-enoyl)cyclooct-2-en-1-one
Also Known As: Spartidienedione, 2-Cycloocten-1-one, 3,7-dimethyl-6-(3-methyl-1-oxo-2-butenyl)-, trans-(-)-, trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one, (2Z,6R,7R)-3,7-dimethyl-6-(3-methylbut-2-enoyl)cyclooct-2-en-1-one
Technical Specifications
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.16199 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | C[C@@H]1CC(=O)/C=C(\CC[C@H]1C(=O)C=C(C)C)/C |
| InChIKey | QSEXTUGQYXMUHW-YTYACIELSA-N |
Chemical Property Profile of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one
Property Insights of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one. With a topological polar surface area (TPSA) of 34.1 Ų, trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one?
The CAS number of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one is 151484-84-3.
What is the molecular formula of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one?
The molecular formula of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one is C15H22O2.
What is the molecular weight of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one?
The molecular weight of trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one is 234.16199 g/mol.
Where can I buy trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one?
You can request a quote for trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one?
Yes, CoreyChem provides custom synthesis services for trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.