Menthadienyl acetate
TL;DR: Menthadienyl acetate (CAS 71660-03-2) 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.
(2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate
Also Known As: Menthadienyl acetate, FEMA No. 3848, P-1(7)8-Menthadien-2-yl acetate, p-Mentha-1(7),8-dien-2-ol, acetate, trans-p-Mentha-1(7),8-dien-2-yl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.9 |
| 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 | 265.0 |
Chemical Identifiers
| CAS Number | 71660-03-2 |
|---|---|
| SMILES | CC(=C)C1CCC(=C)C(C1)OC(=O)C |
| InChIKey | CCLNPVCMIJDJLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Menthadienyl acetate (CAS 71660-03-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate.
Chemical Property Profile of Menthadienyl acetate
Property Insights of Menthadienyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Menthadienyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Menthadienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Menthadienyl 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 Menthadienyl acetate?
The CAS number of Menthadienyl acetate is 71660-03-2.
What is the molecular formula of Menthadienyl acetate?
The molecular formula of Menthadienyl acetate is C12H18O2.
What is the molecular weight of Menthadienyl acetate?
The molecular weight of Menthadienyl acetate is 194.13 g/mol.
Where can I buy Menthadienyl acetate?
You can request a quote for Menthadienyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Menthadienyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Menthadienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.