3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-
TL;DR: 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- (CAS 55722-58-2) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,6-trimethylcyclohex-3-ene-1-carbaldehyde
Also Known As: 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-, 4,6,6-trimethylcyclohex-3-ene-1-carbaldehyde, 4,6,6-Trimethyl-3-cyclohexene-1-carbaldehyde, Benzenediazonium, 4-(hydroxymethyl)-, tetrafluoroborate(1-), RefChem:278755
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 55722-58-2 |
|---|---|
| SMILES | CC1=CCC(C(C1)(C)C)C=O |
| InChIKey | PEJDZTZLIFVHJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- (CAS 55722-58-2), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 4,6,6-trimethylcyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-
Property Insights of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- 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-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-?
The CAS number of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- is 55722-58-2.
What is the molecular formula of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-?
The molecular formula of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- is C10H16O.
What is the molecular weight of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-?
The molecular weight of 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- is 152.12 g/mol.
Where can I buy 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-?
You can request a quote for 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxaldehyde, 4,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.