3,3,5-Trimethylcyclohexene
TL;DR: 3,3,5-Trimethylcyclohexene (CAS 503-45-7) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylcyclohexene
Also Known As: 3,3,5-Trimethylcyclohexene, Cyclohexene, 3,3,5-trimethyl-, .epsilon.-Cyclogeraniolene, 3,3,5-TRIMETHYL CYCLOHEXENE, Imicro-cyclogeraniolene
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 503-45-7 |
|---|---|
| SMILES | CC1CC=CC(C1)(C)C |
| InChIKey | GQVLBFQEABXQDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-Trimethylcyclohexene (CAS 503-45-7), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 3,3,5-trimethylcyclohexene.
Chemical Property Profile of 3,3,5-Trimethylcyclohexene
Property Insights of 3,3,5-Trimethylcyclohexene
The XLogP value of 3.6 indicates that 3,3,5-Trimethylcyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,5-Trimethylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexene 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 3,3,5-Trimethylcyclohexene?
The CAS number of 3,3,5-Trimethylcyclohexene is 503-45-7.
What is the molecular formula of 3,3,5-Trimethylcyclohexene?
The molecular formula of 3,3,5-Trimethylcyclohexene is C9H16.
What is the molecular weight of 3,3,5-Trimethylcyclohexene?
The molecular weight of 3,3,5-Trimethylcyclohexene is 124.13 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexene?
You can request a quote for 3,3,5-Trimethylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.