Isobutyl 3-methyl-2-butenoate
TL;DR: Isobutyl 3-methyl-2-butenoate (CAS 30434-54-9) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 3-methylbut-2-enoate
Also Known As: Isobutyl 3-methyl-2-butenoate, isobutyl3-methyl-2-butenoate, isobutyl 3-methylbut-2-enoate, 2-methylpropyl 3-methylbut-2-enoate, Isobutyl 3-methyl-2-butenoate #
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 30434-54-9 |
|---|---|
| SMILES | CC(C)COC(=O)C=C(C)C |
| InChIKey | OORIYKITSHAVJG-UHFFFAOYSA-N |
Product Overview
Isobutyl 3-methyl-2-butenoate (CAS 30434-54-9), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2-methylpropyl 3-methylbut-2-enoate.
Chemical Property Profile of Isobutyl 3-methyl-2-butenoate
Property Insights of Isobutyl 3-methyl-2-butenoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3-methyl-2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 3-methyl-2-butenoate 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 Isobutyl 3-methyl-2-butenoate?
The CAS number of Isobutyl 3-methyl-2-butenoate is 30434-54-9.
What is the molecular formula of Isobutyl 3-methyl-2-butenoate?
The molecular formula of Isobutyl 3-methyl-2-butenoate is C9H16O2.
What is the molecular weight of Isobutyl 3-methyl-2-butenoate?
The molecular weight of Isobutyl 3-methyl-2-butenoate is 156.12 g/mol.
Where can I buy Isobutyl 3-methyl-2-butenoate?
You can request a quote for Isobutyl 3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.