alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal
TL;DR: alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal (CAS 85952-29-0) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butanal
Also Known As: Cetonal, orris butanal, 1-CETONAL, 2-Methyl-4- butanal, Luciferin aldehyde[Latia]
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 85952-29-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)C=O |
| InChIKey | MXNVWZZDDFIWHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal (CAS 85952-29-0), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butanal.
Chemical Property Profile of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal
Property Insights of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal
The XLogP value of 3.4 indicates that alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal 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 alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal?
The CAS number of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal is 85952-29-0.
What is the molecular formula of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal?
The molecular formula of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal is C14H24O.
What is the molecular weight of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal?
The molecular weight of alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal is 208.18 g/mol.
Where can I buy alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal?
You can request a quote for alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal?
Yes, KEHONG BIO provides custom synthesis services for alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.