Trimethyl orthovalerate
TL;DR: Trimethyl orthovalerate (CAS 13820-09-2) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trimethoxypentane
Also Known As: Trimethyl orthovalerate, 1,1,1-Trimethoxypentane, Pentane, 1,1,1-trimethoxy-, methyl orthovalerate, Trimethylorthovalerate
| Molecular Formula | C8H18O3 |
|---|---|
| Molecular Weight | 162.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.1256 |
| Heavy Atoms | 11 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 13820-09-2 |
|---|---|
| SMILES | CCCCC(OC)(OC)OC |
| InChIKey | XUXVVQKJULMMKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl orthovalerate (CAS 13820-09-2), with molecular formula C8H18O3 and molecular weight 162.13 g/mol. IUPAC: 1,1,1-trimethoxypentane.
Chemical Property Profile of Trimethyl orthovalerate
Property Insights of Trimethyl orthovalerate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl orthovalerate. With a topological polar surface area (TPSA) of 27.7 Ų, Trimethyl orthovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethyl orthovalerate has 0 hydrogen bond donor(s) and 3 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 Trimethyl orthovalerate?
The CAS number of Trimethyl orthovalerate is 13820-09-2.
What is the molecular formula of Trimethyl orthovalerate?
The molecular formula of Trimethyl orthovalerate is C8H18O3.
What is the molecular weight of Trimethyl orthovalerate?
The molecular weight of Trimethyl orthovalerate is 162.13 g/mol.
Where can I buy Trimethyl orthovalerate?
You can request a quote for Trimethyl orthovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl orthovalerate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl orthovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.