2-甲基戊-2-烯-1-酸
TL;DR: 2-甲基戊-2-烯-1-酸 (CAS 3142-72-1) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基戊-2-烯-1-酸
2-methylpent-2-enoic acid
Also Known As: 2-METHYL-2-PENTENOIC ACID, Strawberriff, 2-methylpent-2-enoic acid, 2-Pentenoic acid, 2-methyl-, Pentenoic acid, 2-methyl-
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
| Density | 0.976-0.982 |
| Solubility | Slightly soluble in water; soluble in chloroform, carbon disulfide, ether |
| Refractive Index | 1.450-1.460 |
Chemical Identifiers
| CAS Number | 3142-72-1 |
|---|---|
| SMILES | CCC=C(C)C(=O)O |
| InChIKey | JJYWRQLLQAKNAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基戊-2-烯-1-酸 (CAS 3142-72-1), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 2-methylpent-2-enoic acid.
Chemical Property Profile of 2-甲基戊-2-烯-1-酸
Property Insights of 2-甲基戊-2-烯-1-酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基戊-2-烯-1-酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-甲基戊-2-烯-1-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基戊-2-烯-1-酸 has 1 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-甲基戊-2-烯-1-酸?
The CAS number of 2-甲基戊-2-烯-1-酸 is 3142-72-1.
What is the molecular formula of 2-甲基戊-2-烯-1-酸?
The molecular formula of 2-甲基戊-2-烯-1-酸 is C6H10O2.
What is the molecular weight of 2-甲基戊-2-烯-1-酸?
The molecular weight of 2-甲基戊-2-烯-1-酸 is 114.07 g/mol.
Where can I buy 2-甲基戊-2-烯-1-酸?
You can request a quote for 2-甲基戊-2-烯-1-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基戊-2-烯-1-酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基戊-2-烯-1-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.