3-Cyclohexene-1,1-dimethanol
TL;DR: 3-Cyclohexene-1,1-dimethanol (CAS 2160-94-3) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
Also Known As: 3-CYCLOHEXENE-1,1-DIMETHANOL, cyclohex-3-ene-1,1-diyldimethanol, STOCK, 4,4-Bis(hydroxymethyl)cyclohexene, 1,1-Bis(hydroxymethyl)-3-cyclohexene
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 2160-94-3 |
|---|---|
| SMILES | C1CC(CC=C1)(CO)CO |
| InChIKey | YXEBFFWTZWGHEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1,1-dimethanol (CAS 2160-94-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
Chemical Property Profile of 3-Cyclohexene-1,1-dimethanol
Property Insights of 3-Cyclohexene-1,1-dimethanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1,1-dimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Cyclohexene-1,1-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1,1-dimethanol has 2 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 3-Cyclohexene-1,1-dimethanol?
The CAS number of 3-Cyclohexene-1,1-dimethanol is 2160-94-3.
What is the molecular formula of 3-Cyclohexene-1,1-dimethanol?
The molecular formula of 3-Cyclohexene-1,1-dimethanol is C8H14O2.
What is the molecular weight of 3-Cyclohexene-1,1-dimethanol?
The molecular weight of 3-Cyclohexene-1,1-dimethanol is 142.10 g/mol.
Where can I buy 3-Cyclohexene-1,1-dimethanol?
You can request a quote for 3-Cyclohexene-1,1-dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1,1-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1,1-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.