2,2-二甲基辛酸
TL;DR: 2,2-二甲基辛酸 (CAS 29662-90-6) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基辛酸
2,2-dimethyloctanoic acid
Also Known As: 2,2-Dimethyloctanoic acid, Cekanoic acidc10, NEODECANOIC ACID, dimethyloctanoicacid, Dimethyloctanoic acid
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 29662-90-6 |
|---|---|
| SMILES | CCCCCCC(C)(C)C(=O)O |
| InChIKey | IKNDGHRNXGEHTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基辛酸 (CAS 29662-90-6), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2,2-dimethyloctanoic acid.
Chemical Property Profile of 2,2-二甲基辛酸
Property Insights of 2,2-二甲基辛酸
The XLogP value of 3.7 indicates that 2,2-二甲基辛酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-二甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基辛酸 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 2,2-二甲基辛酸?
The CAS number of 2,2-二甲基辛酸 is 29662-90-6.
What is the molecular formula of 2,2-二甲基辛酸?
The molecular formula of 2,2-二甲基辛酸 is C10H20O2.
What is the molecular weight of 2,2-二甲基辛酸?
The molecular weight of 2,2-二甲基辛酸 is 172.15 g/mol.
Where can I buy 2,2-二甲基辛酸?
You can request a quote for 2,2-二甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.