1-环己烯-1-乙酸1-甲基乙酯
TL;DR: 1-环己烯-1-乙酸1-甲基乙酯 (CAS 93952-58-0) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-环己烯-1-乙酸1-甲基乙酯
propan-2-yl 2-(cyclohexen-1-yl)acetate
Also Known As: Isopropyl 1-cyclohexene-1-acetate, 1-Cyclohexene-1-acetic acid, 1-methylethyl ester, propan-2-yl 2-(cyclohexen-1-yl)acetate, Propan-2-yl (cyclohex-1-en-1-yl)acetate, propan-2-yl 2-(cyclohex-1-en-1-yl)acetate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 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 | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 93952-58-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC1=CCCCC1 |
| InChIKey | LXDRIYLDFQGETL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-环己烯-1-乙酸1-甲基乙酯 (CAS 93952-58-0), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: propan-2-yl 2-(cyclohexen-1-yl)acetate.
Chemical Property Profile of 1-环己烯-1-乙酸1-甲基乙酯
Property Insights of 1-环己烯-1-乙酸1-甲基乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-环己烯-1-乙酸1-甲基乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 1-环己烯-1-乙酸1-甲基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-环己烯-1-乙酸1-甲基乙酯 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 1-环己烯-1-乙酸1-甲基乙酯?
The CAS number of 1-环己烯-1-乙酸1-甲基乙酯 is 93952-58-0.
What is the molecular formula of 1-环己烯-1-乙酸1-甲基乙酯?
The molecular formula of 1-环己烯-1-乙酸1-甲基乙酯 is C11H18O2.
What is the molecular weight of 1-环己烯-1-乙酸1-甲基乙酯?
The molecular weight of 1-环己烯-1-乙酸1-甲基乙酯 is 182.13 g/mol.
Where can I buy 1-环己烯-1-乙酸1-甲基乙酯?
You can request a quote for 1-环己烯-1-乙酸1-甲基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-环己烯-1-乙酸1-甲基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-环己烯-1-乙酸1-甲基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.