Heptanoic acid, 2,2-dimethyl-6-oxo-
TL;DR: Heptanoic acid, 2,2-dimethyl-6-oxo- (CAS 461-11-0) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-oxoheptanoic acid
Also Known As: Geronic acid, 2,2-Dimethyl-6-oxoheptanoic acid, Heptanoic acid, 2,2-dimethyl-6-oxo-, 2,2-Dimethyl-6-oxoheptanoicacid, 2,2-dimethyl-6-oxo-heptanoic acid
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.8565 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 182.21266 |
Chemical Identifiers
| CAS Number | 461-11-0 |
|---|---|
| SMILES | CC(=O)CCCC(C)(C)C(=O)O |
Product Overview
Heptanoic acid, 2,2-dimethyl-6-oxo- (CAS 461-11-0), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 2,2-dimethyl-6-oxoheptanoic acid.
Chemical Property Profile of Heptanoic acid, 2,2-dimethyl-6-oxo-
Property Insights of Heptanoic acid, 2,2-dimethyl-6-oxo-
The XLogP value of 1.8565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 2,2-dimethyl-6-oxo-. With a topological polar surface area (TPSA) of 54.37 Ų, Heptanoic acid, 2,2-dimethyl-6-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2,2-dimethyl-6-oxo- has 1 hydrogen bond donor(s) and 2 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 Heptanoic acid, 2,2-dimethyl-6-oxo-?
The CAS number of Heptanoic acid, 2,2-dimethyl-6-oxo- is 461-11-0.
What is the molecular formula of Heptanoic acid, 2,2-dimethyl-6-oxo-?
The molecular formula of Heptanoic acid, 2,2-dimethyl-6-oxo- is C9H16O3.
What is the molecular weight of Heptanoic acid, 2,2-dimethyl-6-oxo-?
The molecular weight of Heptanoic acid, 2,2-dimethyl-6-oxo- is 172.11 g/mol.
Where can I buy Heptanoic acid, 2,2-dimethyl-6-oxo-?
You can request a quote for Heptanoic acid, 2,2-dimethyl-6-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 2,2-dimethyl-6-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2,2-dimethyl-6-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.