Isopropylcyclohexane
TL;DR: Isopropylcyclohexane (CAS 696-29-7) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylcyclohexane
Also Known As: ISOPROPYLCYCLOHEXANE, Hexahydrocumene, Normanthane, propan-2-ylcyclohexane, Cyclohexane, isopropyl-
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 68.0 |
| Melting Point | -89.4 °C |
| Boiling Point | 154.4 °C at 760 mmHg |
| Density | 0.8023 at 20.0 °C - Less dense than water; will float |
| Flash Point | 35.6 °C |
| Vapor Pressure | 4.8 [mmHg] |
Chemical Identifiers
| CAS Number | 696-29-7 |
|---|---|
| SMILES | CC(C)C1CCCCC1 |
| InChIKey | GWESVXSMPKAFAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylcyclohexane (CAS 696-29-7), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: propan-2-ylcyclohexane.
Chemical Property Profile of Isopropylcyclohexane
Property Insights of Isopropylcyclohexane
The XLogP value of 4.3 indicates that Isopropylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isopropylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylcyclohexane 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 Isopropylcyclohexane?
The CAS number of Isopropylcyclohexane is 696-29-7.
What is the molecular formula of Isopropylcyclohexane?
The molecular formula of Isopropylcyclohexane is C9H18.
What is the molecular weight of Isopropylcyclohexane?
The molecular weight of Isopropylcyclohexane is 126.14 g/mol.
Where can I buy Isopropylcyclohexane?
You can request a quote for Isopropylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for Isopropylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.