Basic information
- Standard SMILES
COC(=O)CC/C=C/C(C)C- InChIKey
QUFUSBQFKQNUIR-GQCTYLIASA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
Names & identifiers
- Preferred name
- Methyl (E)-6-methylhept-4-enoate
- IUPAC
- methyl (E)-6-methylhept-4-enoate
- English name
- Methyl (E)-6-methylhept-4-enoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
Methyl (E)-6-methylhept-4-enoate112375-56-14-Heptenoic acid, 6-methyl-, methyl ester, (E)-Hept-4-enoic acid, 6-methyl-, methyl ester, (E)-ETHYL 5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE
Database identifiers
- CAS
112375-56-1- PubChem CID
- 6442811
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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