Cyclohexane, 2-propynylidene-
TL;DR: Cyclohexane, 2-propynylidene- (CAS 2806-45-3) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynylidenecyclohexane
Also Known As: Cyclohexane, 2-propynylidene-, Propargylidenecyclohexane, Propynylidenecyclohexane, prop-2-ynylidenecyclohexane, 3-Cyclohexylidene-1-propyne
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2806-45-3 |
|---|---|
| SMILES | C#CC=C1CCCCC1 |
| InChIKey | KDDPBZDSQZBJHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane, 2-propynylidene- (CAS 2806-45-3), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: prop-2-ynylidenecyclohexane.
Chemical Property Profile of Cyclohexane, 2-propynylidene-
Property Insights of Cyclohexane, 2-propynylidene-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane, 2-propynylidene-. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexane, 2-propynylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane, 2-propynylidene- 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 Cyclohexane, 2-propynylidene-?
The CAS number of Cyclohexane, 2-propynylidene- is 2806-45-3.
What is the molecular formula of Cyclohexane, 2-propynylidene-?
The molecular formula of Cyclohexane, 2-propynylidene- is C9H12.
What is the molecular weight of Cyclohexane, 2-propynylidene-?
The molecular weight of Cyclohexane, 2-propynylidene- is 120.09 g/mol.
Where can I buy Cyclohexane, 2-propynylidene-?
You can request a quote for Cyclohexane, 2-propynylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane, 2-propynylidene-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane, 2-propynylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.