2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-
TL;DR: 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- (CAS 61692-82-8) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enyl (E)-2-methylbut-2-enoate
Also Known As: 2-Methylallyl 2-methylcrotonate, 2-methyl-2-propenyl tiglate, EINECS 262-905-9, 2-methylprop-2-enyl (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 2-methyl-2-propenyl ester, (2E)-
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.0719 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 189.73941 |
Chemical Identifiers
| CAS Number | 61692-82-8 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCC(=C)C |
Product Overview
2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- (CAS 61692-82-8), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-methylprop-2-enyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-
Property Insights of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-
The XLogP value of 2.0719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- has 0 hydrogen bond donor(s) and 2 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-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-?
The CAS number of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- is 61692-82-8.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- is C9H14O2.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- is 154.10 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- 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, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.