2,2,5-Trimethylhex-4-enal
TL;DR: 2,2,5-Trimethylhex-4-enal (CAS 1000-30-2) 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.
2,2,5-trimethylhex-4-enal
Also Known As: 2,2,5-Trimethylhex-4-enal, 4-Hexenal, 2,2,5-trimethyl-, 2,2,5-trimethyl-4-hexenal, 4-Hexenal,2,2,5-trimethyl-, 4-Hexenal,2,2,5-trimethyl
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.6 |
| 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 | 139.0 |
Chemical Identifiers
| CAS Number | 1000-30-2 |
|---|---|
| SMILES | CC(=CCC(C)(C)C=O)C |
| InChIKey | TVJYZLLDEHOCJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethylhex-4-enal (CAS 1000-30-2), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 2,2,5-trimethylhex-4-enal.
Chemical Property Profile of 2,2,5-Trimethylhex-4-enal
Property Insights of 2,2,5-Trimethylhex-4-enal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethylhex-4-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,5-Trimethylhex-4-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethylhex-4-enal 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 2,2,5-Trimethylhex-4-enal?
The CAS number of 2,2,5-Trimethylhex-4-enal is 1000-30-2.
What is the molecular formula of 2,2,5-Trimethylhex-4-enal?
The molecular formula of 2,2,5-Trimethylhex-4-enal is C9H16O.
What is the molecular weight of 2,2,5-Trimethylhex-4-enal?
The molecular weight of 2,2,5-Trimethylhex-4-enal is 140.12 g/mol.
Where can I buy 2,2,5-Trimethylhex-4-enal?
You can request a quote for 2,2,5-Trimethylhex-4-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5-Trimethylhex-4-enal?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethylhex-4-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.