Cyclohexene, 1,4,4-trimethyl-
TL;DR: Cyclohexene, 1,4,4-trimethyl- (CAS 3419-71-4) 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.
1,4,4-trimethylcyclohexene
Also Known As: Cyclohexene, 1,4,4-trimethyl-, 1,4,4-trimethylcyclohexene, 1,4,4-Trimethyl-1-cyclohexene, 1,4,4-TRIMETHYLCYCLOHEX-1-ENE, RefChem:129657
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.0 |
| 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 | 129.0 |
Chemical Identifiers
| CAS Number | 3419-71-4 |
|---|---|
| SMILES | CC1=CCC(CC1)(C)C |
| InChIKey | VUWMEDZMVLUYQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexene, 1,4,4-trimethyl- (CAS 3419-71-4), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 1,4,4-trimethylcyclohexene.
Chemical Property Profile of Cyclohexene, 1,4,4-trimethyl-
Property Insights of Cyclohexene, 1,4,4-trimethyl-
The XLogP value of 3.0 indicates that Cyclohexene, 1,4,4-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexene, 1,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexene, 1,4,4-trimethyl- 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 Cyclohexene, 1,4,4-trimethyl-?
The CAS number of Cyclohexene, 1,4,4-trimethyl- is 3419-71-4.
What is the molecular formula of Cyclohexene, 1,4,4-trimethyl-?
The molecular formula of Cyclohexene, 1,4,4-trimethyl- is C9H16.
What is the molecular weight of Cyclohexene, 1,4,4-trimethyl-?
The molecular weight of Cyclohexene, 1,4,4-trimethyl- is 124.13 g/mol.
Where can I buy Cyclohexene, 1,4,4-trimethyl-?
You can request a quote for Cyclohexene, 1,4,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexene, 1,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexene, 1,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.