2-Butenoic acid, dodecyl ester
TL;DR: 2-Butenoic acid, dodecyl ester (CAS 16005-15-5) is a chemical compound with molecular formula C16H30O2 and molecular weight 254.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl but-2-enoate
Also Known As: dodecyl but-2-enoate, 2-Butenoic acid, dodecyl ester, 2-Butenoic acid,dodecyl ester
| Molecular Formula | C16H30O2 |
|---|---|
| Molecular Weight | 254.22 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 254.22458 |
| Heavy Atoms | 18 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 16005-15-5 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C=CC |
| InChIKey | PJJDTHSONOWIIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, dodecyl ester (CAS 16005-15-5), with molecular formula C16H30O2 and molecular weight 254.22 g/mol. IUPAC: dodecyl but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, dodecyl ester
Property Insights of 2-Butenoic acid, dodecyl ester
The XLogP value of 6.4 indicates that 2-Butenoic acid, dodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, dodecyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butenoic acid, dodecyl ester?
The CAS number of 2-Butenoic acid, dodecyl ester is 16005-15-5.
What is the molecular formula of 2-Butenoic acid, dodecyl ester?
The molecular formula of 2-Butenoic acid, dodecyl ester is C16H30O2.
What is the molecular weight of 2-Butenoic acid, dodecyl ester?
The molecular weight of 2-Butenoic acid, dodecyl ester is 254.22 g/mol.
Where can I buy 2-Butenoic acid, dodecyl ester?
You can request a quote for 2-Butenoic acid, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.