2-Ethyl-2-propadienylhexanal
TL;DR: 2-Ethyl-2-propadienylhexanal (CAS 4058-55-3) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-propa-1,2-dienylhexanal
Also Known As: 2-Ethyl-2-propadienylhexanal, 2-ethyl-2-propa-1,2-dienylhexanal
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4058-55-3 |
|---|---|
| SMILES | CCCCC(CC)(C=C=C)C=O |
| InChIKey | UPPBIKQICNRUKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-2-propadienylhexanal (CAS 4058-55-3), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-ethyl-2-propa-1,2-dienylhexanal.
Chemical Property Profile of 2-Ethyl-2-propadienylhexanal
Property Insights of 2-Ethyl-2-propadienylhexanal
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-propadienylhexanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethyl-2-propadienylhexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-propadienylhexanal has 0 hydrogen bond donor(s) and 1 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-Ethyl-2-propadienylhexanal?
The CAS number of 2-Ethyl-2-propadienylhexanal is 4058-55-3.
What is the molecular formula of 2-Ethyl-2-propadienylhexanal?
The molecular formula of 2-Ethyl-2-propadienylhexanal is C11H18O.
What is the molecular weight of 2-Ethyl-2-propadienylhexanal?
The molecular weight of 2-Ethyl-2-propadienylhexanal is 166.14 g/mol.
Where can I buy 2-Ethyl-2-propadienylhexanal?
You can request a quote for 2-Ethyl-2-propadienylhexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-propadienylhexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-propadienylhexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.