Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate
TL;DR: Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate (CAS 87274-53-1) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3,3-dimethyl-6-oxohept-4-enoate
Also Known As: Methyl 3,3-dimethyl-6-oxohepta-4-enoate, methyl (E)-3,3-dimethyl-6-oxohept-4-enoate, Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate, Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate #, 4-Heptenoic acid, 3,3-dimethyl-6-oxo-, methyl ester
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.7209 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 226.32436 |
Chemical Identifiers
| CAS Number | 87274-53-1 |
|---|---|
| SMILES | CC(=O)/C=C/C(C)(C)CC(=O)OC |
Product Overview
Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate (CAS 87274-53-1), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: methyl (E)-3,3-dimethyl-6-oxohept-4-enoate.
Chemical Property Profile of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate
Property Insights of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate
The XLogP value of 1.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate has 0 hydrogen bond donor(s) and 3 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 Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate?
The CAS number of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate is 87274-53-1.
What is the molecular formula of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate?
The molecular formula of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate is C10H16O3.
What is the molecular weight of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate?
The molecular weight of Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate is 184.11 g/mol.
Where can I buy Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate?
You can request a quote for Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4E)-3,3-dimethyl-6-oxo-4-heptenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.