3,5-Dimethyl-3-cyclohexene carboxaldehyde
TL;DR: 3,5-Dimethyl-3-cyclohexene carboxaldehyde (CAS 68039-48-5) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylcyclohex-3-ene-1-carbaldehyde
Also Known As: Trivertal, 3,5-ivy carbaldehyde, Cyclal C, 3,5-Dimethylcyclohex-3-ene-1-carbaldehyde, AGRUMEN ALDEHYDE
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 68039-48-5 |
|---|---|
| SMILES | CC1CC(CC(=C1)C)C=O |
| InChIKey | ZHDQGHCZWWDMRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-3-cyclohexene carboxaldehyde (CAS 68039-48-5), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 3,5-dimethylcyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 3,5-Dimethyl-3-cyclohexene carboxaldehyde
Property Insights of 3,5-Dimethyl-3-cyclohexene carboxaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-3-cyclohexene carboxaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Dimethyl-3-cyclohexene carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-3-cyclohexene carboxaldehyde 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 3,5-Dimethyl-3-cyclohexene carboxaldehyde?
The CAS number of 3,5-Dimethyl-3-cyclohexene carboxaldehyde is 68039-48-5.
What is the molecular formula of 3,5-Dimethyl-3-cyclohexene carboxaldehyde?
The molecular formula of 3,5-Dimethyl-3-cyclohexene carboxaldehyde is C9H14O.
What is the molecular weight of 3,5-Dimethyl-3-cyclohexene carboxaldehyde?
The molecular weight of 3,5-Dimethyl-3-cyclohexene carboxaldehyde is 138.10 g/mol.
Where can I buy 3,5-Dimethyl-3-cyclohexene carboxaldehyde?
You can request a quote for 3,5-Dimethyl-3-cyclohexene carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-3-cyclohexene carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-3-cyclohexene carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.