2,3,4-Trimethyl-3-hexenal
TL;DR: 2,3,4-Trimethyl-3-hexenal (CAS 511519-85-0) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethylhex-3-enal
Also Known As: 2,3,4-trimethyl-3-hexenal
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 511519-85-0 |
|---|---|
| SMILES | CCC(=C(C)C(C)C=O)C |
| InChIKey | BVVNPUJZXVWJAQ-UHFFFAOYSA-N |
Product Overview
2,3,4-Trimethyl-3-hexenal (CAS 511519-85-0), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 2,3,4-trimethylhex-3-enal.
Chemical Property Profile of 2,3,4-Trimethyl-3-hexenal
Property Insights of 2,3,4-Trimethyl-3-hexenal
The XLogP value of 3.0 indicates that 2,3,4-Trimethyl-3-hexenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4-Trimethyl-3-hexenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethyl-3-hexenal 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 2,3,4-Trimethyl-3-hexenal?
The CAS number of 2,3,4-Trimethyl-3-hexenal is 511519-85-0.
What is the molecular formula of 2,3,4-Trimethyl-3-hexenal?
The molecular formula of 2,3,4-Trimethyl-3-hexenal is C9H16O.
What is the molecular weight of 2,3,4-Trimethyl-3-hexenal?
The molecular weight of 2,3,4-Trimethyl-3-hexenal is 140.12 g/mol.
Where can I buy 2,3,4-Trimethyl-3-hexenal?
You can request a quote for 2,3,4-Trimethyl-3-hexenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethyl-3-hexenal?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethyl-3-hexenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.