3,3-Dimethylcyclohexene
TL;DR: 3,3-Dimethylcyclohexene (CAS 695-28-3) is a chemical compound with molecular formula CC1(CCCC=C1)C and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylcyclohexene
Also Known As: 3,3-Dimethylcyclohexene, Cyclohexene, 3,3-dimethyl-, 3,3-dimethylcyclohex-1-ene, RefChem:1065634
| Molecular Formula | CC1(CCCC=C1)C |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 695-28-3 |
|---|---|
| SMILES | CC1(CCCC=C1)C |
| InChIKey | BWYHTITWPWGSHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylcyclohexene (CAS 695-28-3), with molecular formula CC1(CCCC=C1)C and molecular weight 110.11 g/mol. IUPAC: 3,3-dimethylcyclohexene.
Chemical Property Profile of 3,3-Dimethylcyclohexene
Property Insights of 3,3-Dimethylcyclohexene
The XLogP value of 3.3 indicates that 3,3-Dimethylcyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dimethylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylcyclohexene 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 3,3-Dimethylcyclohexene?
The CAS number of 3,3-Dimethylcyclohexene is 695-28-3.
What is the molecular formula of 3,3-Dimethylcyclohexene?
The molecular formula of 3,3-Dimethylcyclohexene is CC1(CCCC=C1)C.
What is the molecular weight of 3,3-Dimethylcyclohexene?
The molecular weight of 3,3-Dimethylcyclohexene is 110.11 g/mol.
Where can I buy 3,3-Dimethylcyclohexene?
You can request a quote for 3,3-Dimethylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.