2-Pentanone, 5,5-diethoxy-
TL;DR: 2-Pentanone, 5,5-diethoxy- (CAS 14499-41-3) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethoxypentan-2-one
Also Known As: 5,5-diethoxypentan-2-one, 2-Pentanone, 5,5-diethoxy-, 5,5-Diethoxy-2-pentanone, 1,1-Diethoxypentan-4-one, 5,5-Diethoxy-2-pentanone #
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 14499-41-3 |
|---|---|
| SMILES | CCOC(CCC(=O)C)OCC |
| InChIKey | BRQZMIVIOUPIFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentanone, 5,5-diethoxy- (CAS 14499-41-3), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 5,5-diethoxypentan-2-one.
Chemical Property Profile of 2-Pentanone, 5,5-diethoxy-
Property Insights of 2-Pentanone, 5,5-diethoxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 5,5-diethoxy-. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Pentanone, 5,5-diethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 5,5-diethoxy- 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 2-Pentanone, 5,5-diethoxy-?
The CAS number of 2-Pentanone, 5,5-diethoxy- is 14499-41-3.
What is the molecular formula of 2-Pentanone, 5,5-diethoxy-?
The molecular formula of 2-Pentanone, 5,5-diethoxy- is C9H18O3.
What is the molecular weight of 2-Pentanone, 5,5-diethoxy-?
The molecular weight of 2-Pentanone, 5,5-diethoxy- is 174.13 g/mol.
Where can I buy 2-Pentanone, 5,5-diethoxy-?
You can request a quote for 2-Pentanone, 5,5-diethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 5,5-diethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 5,5-diethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.