1-Cyclohexene-1-propanal, 2,6,6-trimethyl-
TL;DR: 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- (CAS 35477-44-2) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6,6-trimethylcyclohexen-1-yl)propanal
Also Known As: 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-, 3-(2,6,6-trimethyl-1-cyclohexen-1yl)propanal, 3-(2,6,6-trimethylcyclohexen-1-yl)propanal, 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)propanal #
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 35477-44-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC=O |
| InChIKey | GHYLDEADJWAXGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexene-1-propanal, 2,6,6-trimethyl- (CAS 35477-44-2), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 3-(2,6,6-trimethylcyclohexen-1-yl)propanal.
Chemical Property Profile of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-
Property Insights of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-propanal, 2,6,6-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 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-?
The CAS number of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- is 35477-44-2.
What is the molecular formula of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-?
The molecular formula of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- is C12H20O.
What is the molecular weight of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-?
The molecular weight of 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- is 180.15 g/mol.
Where can I buy 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-?
You can request a quote for 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-propanal, 2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-propanal, 2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.