Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
TL;DR: Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate (CAS 128-51-8) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate
Also Known As: Nopyl acetate, Nopol acetate, Lignyl acetate, Citroviol, Nopylacetate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 128-51-8 |
|---|---|
| SMILES | CC(=O)OCCC1=CCC2CC1C2(C)C |
| InChIKey | AWNOGHRWORTNEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate (CAS 128-51-8), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate.
Chemical Property Profile of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
Property Insights of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 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 Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate?
The CAS number of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate is 128-51-8.
What is the molecular formula of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate?
The molecular formula of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate is C13H20O2.
What is the molecular weight of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate?
The molecular weight of Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate is 208.15 g/mol.
Where can I buy Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate?
You can request a quote for Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.