2,2-二甲基-3-丁烯酸
TL;DR: 2,2-二甲基-3-丁烯酸 (CAS 10276-09-2) 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.
2,2-二甲基-3-丁烯酸
2,2-dimethylbut-3-enoic acid
Also Known As: 2,2-dimethylbut-3-enoic acid, 2,2-Dimethyl-3-butenoic acid, 3-Butenoic acid, 2,2-dimethyl-, 2,2-DIMETHYL-BUT-3-ENOIC ACID, CH2=CHC(CH3)2COOH
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.5 |
| 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 |
Chemical Identifiers
| CAS Number | 10276-09-2 |
|---|---|
| SMILES | CC(C)(C=C)C(=O)O |
| InChIKey | SCFWAOWWAANBPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二甲基-3-丁烯酸 (CAS 10276-09-2), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 2,2-dimethylbut-3-enoic acid.
Chemical Property Profile of 2,2-二甲基-3-丁烯酸
Property Insights of 2,2-二甲基-3-丁烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基-3-丁烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-二甲基-3-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基-3-丁烯酸 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 2,2-二甲基-3-丁烯酸?
The CAS number of 2,2-二甲基-3-丁烯酸 is 10276-09-2.
What is the molecular formula of 2,2-二甲基-3-丁烯酸?
The molecular formula of 2,2-二甲基-3-丁烯酸 is C6H10O2.
What is the molecular weight of 2,2-二甲基-3-丁烯酸?
The molecular weight of 2,2-二甲基-3-丁烯酸 is 114.07 g/mol.
Where can I buy 2,2-二甲基-3-丁烯酸?
You can request a quote for 2,2-二甲基-3-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基-3-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基-3-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.