4,4-Dimethyl-hept-6-EN-3-one
TL;DR: 4,4-Dimethyl-hept-6-EN-3-one (CAS 29511-87-3) 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.
4,4-dimethylhept-6-en-3-one
Also Known As: 4,4-dimethylhept-6-en-3-one, 4,4-DIMETHYL-HEPT-6-EN-3-ONE, 683-764-3, RefChem:507422
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.5678 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 133.6637 |
Chemical Identifiers
| CAS Number | 29511-87-3 |
|---|---|
| SMILES | CCC(=O)C(C)(C)CC=C |
Product Overview
4,4-Dimethyl-hept-6-EN-3-one (CAS 29511-87-3), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 4,4-dimethylhept-6-en-3-one.
Chemical Property Profile of 4,4-Dimethyl-hept-6-EN-3-one
Property Insights of 4,4-Dimethyl-hept-6-EN-3-one
The XLogP value of 2.5678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-hept-6-EN-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, 4,4-Dimethyl-hept-6-EN-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-hept-6-EN-3-one 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 4,4-Dimethyl-hept-6-EN-3-one?
The CAS number of 4,4-Dimethyl-hept-6-EN-3-one is 29511-87-3.
What is the molecular formula of 4,4-Dimethyl-hept-6-EN-3-one?
The molecular formula of 4,4-Dimethyl-hept-6-EN-3-one is C9H16O.
What is the molecular weight of 4,4-Dimethyl-hept-6-EN-3-one?
The molecular weight of 4,4-Dimethyl-hept-6-EN-3-one is 140.12 g/mol.
Where can I buy 4,4-Dimethyl-hept-6-EN-3-one?
You can request a quote for 4,4-Dimethyl-hept-6-EN-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-hept-6-EN-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-hept-6-EN-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.