(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate
TL;DR: (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate (CAS 1079-01-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 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)methyl acetate
Also Known As: Myrtenyl acetate, (-)-Myrtenyl acetate, 2-Pinen-10-ol, acetate, 2-Pinen-10-yl acetate, (+)-Myrtenyl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 1079-01-2 |
|---|---|
| SMILES | CC(=O)OCC1=CCC2CC1C2(C)C |
| InChIKey | BKATZVAUANSCKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate (CAS 1079-01-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl acetate.
Chemical Property Profile of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate
Property Insights of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate 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 (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate?
The CAS number of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate is 1079-01-2.
What is the molecular formula of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate?
The molecular formula of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate is C12H18O2.
What is the molecular weight of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate?
The molecular weight of (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate is 194.13 g/mol.
Where can I buy (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate?
You can request a quote for (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.