2-Methylallyl 2-methylbutyrate
TL;DR: 2-Methylallyl 2-methylbutyrate (CAS 83783-90-8) 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-methylprop-2-enyl 2-methylbutanoate
Also Known As: 2-Methylallyl 2-methylbutyrate, EINECS 280-825-2, 2-methylprop-2-enyl 2-methylbutanoate, 2-METHYLPROP-2-EN-1-YL 2-METHYLBUTANOATE, 2-Methylbutanoic acid 2-methyl-2-propenyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.1518 |
| 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 | 149.64172 |
Chemical Identifiers
| CAS Number | 83783-90-8 |
|---|---|
| SMILES | CCC(C)C(=O)OCC(=C)C |
Product Overview
2-Methylallyl 2-methylbutyrate (CAS 83783-90-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2-methylprop-2-enyl 2-methylbutanoate.
Chemical Property Profile of 2-Methylallyl 2-methylbutyrate
Property Insights of 2-Methylallyl 2-methylbutyrate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylallyl 2-methylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylallyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylallyl 2-methylbutyrate 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-Methylallyl 2-methylbutyrate?
The CAS number of 2-Methylallyl 2-methylbutyrate is 83783-90-8.
What is the molecular formula of 2-Methylallyl 2-methylbutyrate?
The molecular formula of 2-Methylallyl 2-methylbutyrate is C9H16O2.
What is the molecular weight of 2-Methylallyl 2-methylbutyrate?
The molecular weight of 2-Methylallyl 2-methylbutyrate is 156.12 g/mol.
Where can I buy 2-Methylallyl 2-methylbutyrate?
You can request a quote for 2-Methylallyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylallyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylallyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.