2-Methyl-3-buten-2-ol
TL;DR: 2-Methyl-3-buten-2-ol (CAS 115-18-4) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-en-2-ol
Also Known As: 2-METHYL-3-BUTEN-2-OL, 2-Methylbut-3-en-2-ol, Methylbutenol, isoprenyl alcohol, Dimethylvinylcarbinol
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
| Melting Point | -28 °C |
| Boiling Point | 208.4 to 99.0 °C at 760 mmHg |
| Density | 0.824 - Less dense than water; will float |
| Solubility | 1000 mg/mL |
| Flash Point | 13.3 °C |
| Vapor Pressure | 23.5 [mmHg] |
Chemical Identifiers
| CAS Number | 115-18-4 |
|---|---|
| SMILES | CC(C)(C=C)O |
| InChIKey | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-buten-2-ol (CAS 115-18-4), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 2-methylbut-3-en-2-ol.
Chemical Property Profile of 2-Methyl-3-buten-2-ol
Property Insights of 2-Methyl-3-buten-2-ol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-buten-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-3-buten-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-buten-2-ol has 1 hydrogen bond donor(s) and 1 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-Methyl-3-buten-2-ol?
The CAS number of 2-Methyl-3-buten-2-ol is 115-18-4.
What is the molecular formula of 2-Methyl-3-buten-2-ol?
The molecular formula of 2-Methyl-3-buten-2-ol is C5H10O.
What is the molecular weight of 2-Methyl-3-buten-2-ol?
The molecular weight of 2-Methyl-3-buten-2-ol is 86.07 g/mol.
Where can I buy 2-Methyl-3-buten-2-ol?
You can request a quote for 2-Methyl-3-buten-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-buten-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-buten-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.