1,1,1-Triethoxypentane
TL;DR: 1,1,1-Triethoxypentane (CAS 919-29-9) is a chemical compound with molecular formula C11H24O3 and molecular weight 204.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-triethoxypentane
Also Known As: 1,1,1-Triethoxypentane, Triethyl Orthovalerate, triethylorthovalerate, Pentane, 1,1,1-triethoxy-, Triethyl orthopentanoate
| Molecular Formula | C11H24O3 |
|---|---|
| Molecular Weight | 204.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.17255 |
| Heavy Atoms | 14 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 919-29-9 |
|---|---|
| SMILES | CCCCC(OCC)(OCC)OCC |
| InChIKey | DIKAUBKIDNXNNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Triethoxypentane (CAS 919-29-9), with molecular formula C11H24O3 and molecular weight 204.17 g/mol. IUPAC: 1,1,1-triethoxypentane.
Chemical Property Profile of 1,1,1-Triethoxypentane
Property Insights of 1,1,1-Triethoxypentane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Triethoxypentane. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,1-Triethoxypentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Triethoxypentane 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 1,1,1-Triethoxypentane?
The CAS number of 1,1,1-Triethoxypentane is 919-29-9.
What is the molecular formula of 1,1,1-Triethoxypentane?
The molecular formula of 1,1,1-Triethoxypentane is C11H24O3.
What is the molecular weight of 1,1,1-Triethoxypentane?
The molecular weight of 1,1,1-Triethoxypentane is 204.17 g/mol.
Where can I buy 1,1,1-Triethoxypentane?
You can request a quote for 1,1,1-Triethoxypentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Triethoxypentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Triethoxypentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.