5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
TL;DR: 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- (CAS 100052-75-3) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-2,6-dimethylhept-5-enoic acid
Also Known As: 2-ethenyl-2,6-dimethylhept-5-enoic acid, 2,6-Dimethyl-2-vinyl-5-heptenoic acid, 3,7-dimethyl-1,6-octadiene-3-carboxylic acid, 2,6-Dimethyl-2-vinyl-5-heptenoic acid #, 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 100052-75-3 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)C(=O)O)C |
| InChIKey | DVCHJFSLGUNEQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Heptenoic acid, 2,6-dimethyl-2-vinyl- (CAS 100052-75-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-ethenyl-2,6-dimethylhept-5-enoic acid.
Chemical Property Profile of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
Property Insights of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
The XLogP value of 3.2 indicates that 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- 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 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-?
The CAS number of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- is 100052-75-3.
What is the molecular formula of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-?
The molecular formula of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- is C11H18O2.
What is the molecular weight of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-?
The molecular weight of 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- is 182.13 g/mol.
Where can I buy 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-?
You can request a quote for 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptenoic acid, 2,6-dimethyl-2-vinyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptenoic acid, 2,6-dimethyl-2-vinyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.