1-Ethynylcyclohexene
TL;DR: 1-Ethynylcyclohexene (CAS 931-49-7) is a chemical compound with molecular formula C8H10 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynylcyclohexene
Also Known As: 1-ethynylcyclohexene, 1-ethynylcyclohex-1-ene, Cyclohexene, 1-ethynyl-, ethynylcyclohexene, 1-ethynyl-1-cyclohexene
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 106.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 931-49-7 |
|---|---|
| SMILES | C#CC1=CCCCC1 |
| InChIKey | DKFHWNGVMWFBJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynylcyclohexene (CAS 931-49-7), with molecular formula C8H10 and molecular weight 106.08 g/mol. IUPAC: 1-ethynylcyclohexene.
Chemical Property Profile of 1-Ethynylcyclohexene
Property Insights of 1-Ethynylcyclohexene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynylcyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynylcyclohexene has 0 hydrogen bond donor(s) and 0 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-Ethynylcyclohexene?
The CAS number of 1-Ethynylcyclohexene is 931-49-7.
What is the molecular formula of 1-Ethynylcyclohexene?
The molecular formula of 1-Ethynylcyclohexene is C8H10.
What is the molecular weight of 1-Ethynylcyclohexene?
The molecular weight of 1-Ethynylcyclohexene is 106.08 g/mol.
Where can I buy 1-Ethynylcyclohexene?
You can request a quote for 1-Ethynylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.