5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-
TL;DR: 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- (CAS 2753-03-9) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-one
Also Known As: 6-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one, 3- -6-methyl-5-hepten-2-one, 2,7-Nonadiene,2,8-dimethyl-5-acetyl-, 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-butenyl)-, 6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-one
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 2753-03-9 |
|---|---|
| SMILES | CC(=CCC(CC=C(C)C)C(=O)C)C |
| InChIKey | XQRBPMRCHFTCNL-UHFFFAOYSA-N |
Product Overview
5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- (CAS 2753-03-9), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-one.
Chemical Property Profile of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-
Property Insights of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-
The XLogP value of 3.8 indicates that 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- 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-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-?
The CAS number of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- is 2753-03-9.
What is the molecular formula of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-?
The molecular formula of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- is C13H22O.
What is the molecular weight of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-?
The molecular weight of 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- is 194.17 g/mol.
Where can I buy 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-?
You can request a quote for 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.