Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester
TL;DR: Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester (CAS 31188-01-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl) acetate
Also Known As: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl) acetate, (7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl) Acetate, ACETIC ACID 6,6-DIMETHYL-BICYCLO(3.1.1)HEPT-2-EN-2-YL ESTER
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.4994 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 275.81488 |
Chemical Identifiers
| CAS Number | 31188-01-9 |
|---|---|
| SMILES | CC(=O)OC1=CCC2CC1C2(C)C |
Product Overview
Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester (CAS 31188-01-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl) acetate.
Chemical Property Profile of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester
Property Insights of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester
The XLogP value of 2.4994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester 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
Frequently Asked Questions
What is the CAS number of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester?
The CAS number of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester is 31188-01-9.
What is the molecular formula of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester?
The molecular formula of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester is C11H16O2.
What is the molecular weight of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester?
The molecular weight of Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester is 180.12 g/mol.
Where can I buy Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester?
You can request a quote for Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 6,6-dimethyl-bicyclo(3.1.1)hept-2-EN-2-YL ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.