3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-
TL;DR: 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- (CAS 61203-80-3) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trimethoxypent-3-en-2-one
Also Known As: 5,5,5-trimethoxypent-3-en-2-one, 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-, cis-5,5,5-Trimethoxy-3-penten-2-on, RefChem:281594
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 61203-80-3 |
|---|---|
| SMILES | CC(=O)C=CC(OC)(OC)OC |
| InChIKey | KELVGRSLQCNMGL-UHFFFAOYSA-N |
Product Overview
3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- (CAS 61203-80-3), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 5,5,5-trimethoxypent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-
Property Insights of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-
The XLogP value of -0.2 indicates that 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- has 0 hydrogen bond donor(s) and 4 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 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-?
The CAS number of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- is 61203-80-3.
What is the molecular formula of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-?
The molecular formula of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- is C8H14O4.
What is the molecular weight of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-?
The molecular weight of 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- is 174.09 g/mol.
Where can I buy 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-?
You can request a quote for 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 5,5,5-trimethoxy-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.