Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester
TL;DR: Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester (CAS 89026-29-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl 3-methylbutanoate
Also Known As: Methylbutenyl isovalerate, 3-methylbut-2-enyl 3-methylbutanoate, 3-methyl-2-butenyl 3-methylbutanoate, Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester, 3-METHYLBUT-2-EN-1-YL 3-METHYLBUTANOATE
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 164.6774 |
Chemical Identifiers
| CAS Number | 89026-29-9 |
|---|---|
| SMILES | CC(C)CC(=O)OCC=C(C)C |
Product Overview
Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester (CAS 89026-29-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-methylbut-2-enyl 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester
Property Insights of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester 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 Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester?
The CAS number of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester is 89026-29-9.
What is the molecular formula of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester?
The molecular formula of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester is C10H18O2.
What is the molecular weight of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester?
The molecular weight of Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester is 170.13 g/mol.
Where can I buy Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester?
You can request a quote for Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, 3-methyl-2-butenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.