Dimethyl 2-hex-2-enylpropanedioate
TL;DR: Dimethyl 2-hex-2-enylpropanedioate (CAS 74810-84-7) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-hex-2-enylpropanedioate
Also Known As: 2-Hexenylmalonicaciddimethylester
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 74810-84-7 |
|---|---|
| SMILES | CCCC=CCC(C(=O)OC)C(=O)OC |
| InChIKey | OFOCVWIEUIHRMG-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-hex-2-enylpropanedioate (CAS 74810-84-7), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: dimethyl 2-hex-2-enylpropanedioate.
Chemical Property Profile of Dimethyl 2-hex-2-enylpropanedioate
Property Insights of Dimethyl 2-hex-2-enylpropanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-hex-2-enylpropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-hex-2-enylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-hex-2-enylpropanedioate 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 Dimethyl 2-hex-2-enylpropanedioate?
The CAS number of Dimethyl 2-hex-2-enylpropanedioate is 74810-84-7.
What is the molecular formula of Dimethyl 2-hex-2-enylpropanedioate?
The molecular formula of Dimethyl 2-hex-2-enylpropanedioate is C11H18O4.
What is the molecular weight of Dimethyl 2-hex-2-enylpropanedioate?
The molecular weight of Dimethyl 2-hex-2-enylpropanedioate is 214.12 g/mol.
Where can I buy Dimethyl 2-hex-2-enylpropanedioate?
You can request a quote for Dimethyl 2-hex-2-enylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-hex-2-enylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-hex-2-enylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.