3-Hexen-2-one, 3,4-dimethyl-, (E)-
TL;DR: 3-Hexen-2-one, 3,4-dimethyl-, (E)- (CAS 20685-46-5) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3,4-dimethylhex-3-en-2-one
Also Known As: kavain, 3,4-Dimethylhex-3-en-2-one, Ethosuximide impurity 6, Ethosuximide impurity 16, -3,4-Dimethyl-3-hexen-2-one
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.3218 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 142.64662 |
Chemical Identifiers
| CAS Number | 20685-46-5 |
|---|---|
| SMILES | CC/C(=C(\C)/C(=O)C)/C |
Product Overview
3-Hexen-2-one, 3,4-dimethyl-, (E)- (CAS 20685-46-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: (E)-3,4-dimethylhex-3-en-2-one.
Chemical Property Profile of 3-Hexen-2-one, 3,4-dimethyl-, (E)-
Property Insights of 3-Hexen-2-one, 3,4-dimethyl-, (E)-
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexen-2-one, 3,4-dimethyl-, (E)-. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Hexen-2-one, 3,4-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexen-2-one, 3,4-dimethyl-, (E)- 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 3-Hexen-2-one, 3,4-dimethyl-, (E)-?
The CAS number of 3-Hexen-2-one, 3,4-dimethyl-, (E)- is 20685-46-5.
What is the molecular formula of 3-Hexen-2-one, 3,4-dimethyl-, (E)-?
The molecular formula of 3-Hexen-2-one, 3,4-dimethyl-, (E)- is C8H14O.
What is the molecular weight of 3-Hexen-2-one, 3,4-dimethyl-, (E)-?
The molecular weight of 3-Hexen-2-one, 3,4-dimethyl-, (E)- is 126.10 g/mol.
Where can I buy 3-Hexen-2-one, 3,4-dimethyl-, (E)-?
You can request a quote for 3-Hexen-2-one, 3,4-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexen-2-one, 3,4-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexen-2-one, 3,4-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.