4-Pentenoic acid, 2,3,3-trimethyl-
TL;DR: 4-Pentenoic acid, 2,3,3-trimethyl- (CAS 61740-75-8) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethylpent-4-enoic acid
Also Known As: 2,3,3-trimethylpent-4-enoic acid, 4-Pentenoic acid, 2,3,3-trimethyl-, 2,3,3-Trimethyl-4-pentenoic acid, 2,3,3-Trimethyl-pent-4-enoic acid, 2,3,3-Trimethyl-4-pentenoic acid #
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 61740-75-8 |
|---|---|
| SMILES | CC(C(=O)O)C(C)(C)C=C |
| InChIKey | QRSJWGNRSRRNEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenoic acid, 2,3,3-trimethyl- (CAS 61740-75-8), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2,3,3-trimethylpent-4-enoic acid.
Chemical Property Profile of 4-Pentenoic acid, 2,3,3-trimethyl-
Property Insights of 4-Pentenoic acid, 2,3,3-trimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2,3,3-trimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Pentenoic acid, 2,3,3-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2,3,3-trimethyl- 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 4-Pentenoic acid, 2,3,3-trimethyl-?
The CAS number of 4-Pentenoic acid, 2,3,3-trimethyl- is 61740-75-8.
What is the molecular formula of 4-Pentenoic acid, 2,3,3-trimethyl-?
The molecular formula of 4-Pentenoic acid, 2,3,3-trimethyl- is C8H14O2.
What is the molecular weight of 4-Pentenoic acid, 2,3,3-trimethyl-?
The molecular weight of 4-Pentenoic acid, 2,3,3-trimethyl- is 142.10 g/mol.
Where can I buy 4-Pentenoic acid, 2,3,3-trimethyl-?
You can request a quote for 4-Pentenoic acid, 2,3,3-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid, 2,3,3-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2,3,3-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.