5-Heptenal, 2,2,6-trimethyl-
TL;DR: 5-Heptenal, 2,2,6-trimethyl- (CAS 52279-00-2) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6-trimethylhept-5-enal
Also Known As: 2,2,6-Trimethylhept-5-enal, 2,2,6-Trimethyl-5-heptenal, 5-Heptenal, 2,2,6-trimethyl-, EINECS 257-809-9, RefChem:102702
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 52279-00-2 |
|---|---|
| SMILES | CC(=CCCC(C)(C)C=O)C |
| InChIKey | IHUYETNQLCGWSV-UHFFFAOYSA-N |
Product Overview
5-Heptenal, 2,2,6-trimethyl- (CAS 52279-00-2), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2,2,6-trimethylhept-5-enal.
Chemical Property Profile of 5-Heptenal, 2,2,6-trimethyl-
Property Insights of 5-Heptenal, 2,2,6-trimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Heptenal, 2,2,6-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Heptenal, 2,2,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptenal, 2,2,6-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 5-Heptenal, 2,2,6-trimethyl-?
The CAS number of 5-Heptenal, 2,2,6-trimethyl- is 52279-00-2.
What is the molecular formula of 5-Heptenal, 2,2,6-trimethyl-?
The molecular formula of 5-Heptenal, 2,2,6-trimethyl- is C10H18O.
What is the molecular weight of 5-Heptenal, 2,2,6-trimethyl-?
The molecular weight of 5-Heptenal, 2,2,6-trimethyl- is 154.14 g/mol.
Where can I buy 5-Heptenal, 2,2,6-trimethyl-?
You can request a quote for 5-Heptenal, 2,2,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptenal, 2,2,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptenal, 2,2,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.