Hexanal, 3,3,5-trimethyl-
TL;DR: Hexanal, 3,3,5-trimethyl- (CAS 68039-71-4) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethylhexanal
Also Known As: 3,3,5-Trimethylhexanal, Hexanal, 3,3,5-trimethyl-, 268-278-8, EINECS 268-278-8, RefChem:146101
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 68039-71-4 |
|---|---|
| SMILES | CC(C)CC(C)(C)CC=O |
| InChIKey | GNEQOLFOUYGYKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanal, 3,3,5-trimethyl- (CAS 68039-71-4), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 3,3,5-trimethylhexanal.
Chemical Property Profile of Hexanal, 3,3,5-trimethyl-
Property Insights of Hexanal, 3,3,5-trimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanal, 3,3,5-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Hexanal, 3,3,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanal, 3,3,5-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 Hexanal, 3,3,5-trimethyl-?
The CAS number of Hexanal, 3,3,5-trimethyl- is 68039-71-4.
What is the molecular formula of Hexanal, 3,3,5-trimethyl-?
The molecular formula of Hexanal, 3,3,5-trimethyl- is C9H18O.
What is the molecular weight of Hexanal, 3,3,5-trimethyl-?
The molecular weight of Hexanal, 3,3,5-trimethyl- is 142.14 g/mol.
Where can I buy Hexanal, 3,3,5-trimethyl-?
You can request a quote for Hexanal, 3,3,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanal, 3,3,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexanal, 3,3,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.