(2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
TL;DR: (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate (CAS 63917-49-7) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
Also Known As: 2-Methyl-2-pentyl-1,3-dioxolane-4-methanol acetate, 1, 2-methyl-2-pentyl-, acetate, (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate, 1,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-PENTYL-, ACETATE, NSC 50343
Technical Specifications
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
| SMILES | CCCCCC1(OCC(O1)COC(=O)C)C |
| InChIKey | SRVZUFBIUWFSMG-UHFFFAOYSA-N |
Chemical Property Profile of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
Property Insights of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate?
The CAS number of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate is 63917-49-7.
What is the molecular formula of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate?
The molecular formula of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate is C12H22O4.
What is the molecular weight of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate?
The molecular weight of (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate is 230.15181 g/mol.
Where can I buy (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate?
You can request a quote for (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate?
Yes, CoreyChem provides custom synthesis services for (2-Methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.