3-Methyl-3-buten-1-yl 2-methylbutanoate
TL;DR: 3-Methyl-3-buten-1-yl 2-methylbutanoate (CAS 84254-81-9) 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-3-enyl 2-methylbutanoate
Also Known As: 3-Methylbut-3-enyl 2-methylbutyrate, 3-methylbut-3-enyl 2-methylbutanoate, EINECS 282-526-2, 3-Methylbut-3-en-1-yl 2-methylbutanoate, 3-methylbut-3-enyl2-methylbutyrate
| 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 | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 161.22151 |
Chemical Identifiers
| CAS Number | 84254-81-9 |
|---|---|
| SMILES | CCC(C)C(=O)OCCC(=C)C |
Product Overview
3-Methyl-3-buten-1-yl 2-methylbutanoate (CAS 84254-81-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-methylbut-3-enyl 2-methylbutanoate.
Chemical Property Profile of 3-Methyl-3-buten-1-yl 2-methylbutanoate
Property Insights of 3-Methyl-3-buten-1-yl 2-methylbutanoate
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-buten-1-yl 2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methyl-3-buten-1-yl 2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-buten-1-yl 2-methylbutanoate 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 3-Methyl-3-buten-1-yl 2-methylbutanoate?
The CAS number of 3-Methyl-3-buten-1-yl 2-methylbutanoate is 84254-81-9.
What is the molecular formula of 3-Methyl-3-buten-1-yl 2-methylbutanoate?
The molecular formula of 3-Methyl-3-buten-1-yl 2-methylbutanoate is C10H18O2.
What is the molecular weight of 3-Methyl-3-buten-1-yl 2-methylbutanoate?
The molecular weight of 3-Methyl-3-buten-1-yl 2-methylbutanoate is 170.13 g/mol.
Where can I buy 3-Methyl-3-buten-1-yl 2-methylbutanoate?
You can request a quote for 3-Methyl-3-buten-1-yl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-buten-1-yl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-buten-1-yl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.