1-Methyl-3-cyclohexene-1-carbaldehyde
TL;DR: 1-Methyl-3-cyclohexene-1-carbaldehyde (CAS 931-96-4) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclohex-3-ene-1-carbaldehyde
Also Known As: 1-methylcyclohex-3-ene-1-carbaldehyde, 1-Methyl-3-cyclohexene-1-carbaldehyde, 4-formyl-4-methylcyclohexene, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-, 1-methylcyclohex-3-enecarbaldehyde
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 931-96-4 |
|---|---|
| SMILES | CC1(CCC=CC1)C=O |
| InChIKey | HXKVDJIESURQMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-cyclohexene-1-carbaldehyde (CAS 931-96-4), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 1-methylcyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 1-Methyl-3-cyclohexene-1-carbaldehyde
Property Insights of 1-Methyl-3-cyclohexene-1-carbaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-cyclohexene-1-carbaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Methyl-3-cyclohexene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-cyclohexene-1-carbaldehyde has 0 hydrogen bond donor(s) and 1 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 1-Methyl-3-cyclohexene-1-carbaldehyde?
The CAS number of 1-Methyl-3-cyclohexene-1-carbaldehyde is 931-96-4.
What is the molecular formula of 1-Methyl-3-cyclohexene-1-carbaldehyde?
The molecular formula of 1-Methyl-3-cyclohexene-1-carbaldehyde is C8H12O.
What is the molecular weight of 1-Methyl-3-cyclohexene-1-carbaldehyde?
The molecular weight of 1-Methyl-3-cyclohexene-1-carbaldehyde is 124.09 g/mol.
Where can I buy 1-Methyl-3-cyclohexene-1-carbaldehyde?
You can request a quote for 1-Methyl-3-cyclohexene-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-cyclohexene-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-cyclohexene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.