methyl (Z)-oct-4-enoate

C9H16O2 — CID 5352774

IUPACmethyl (Z)-oct-4-enoate
SMILESCCC/C=C\CCC(=O)OC
InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeySSPBQLGVUAXSMH-WAYWQWQTSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds5

About methyl (Z)-oct-4-enoate

methyl (Z)-oct-4-enoate (PubChem CID 5352774) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl (Z)-oct-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-oct-4-enoate
PubChem CID5352774
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl (Z)-oct-4-enoate
SMILESCCC/C=C\CCC(=O)OC
InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeySSPBQLGVUAXSMH-WAYWQWQTSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
methyl hexadeca-9,12-dienoate
CID 549033
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
methyl dec-5-enoate
CID 54534253
methyl 6-(diethylamino)hex-4-enoate
CID 54483728
methyl (Z)-undec-5-enoate
CID 11469683
methyl (4E)-octa-4,7-dienoate
CID 10986465

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-oct-4-enoate?
The IUPAC name of methyl (Z)-oct-4-enoate (CID 5352774) is methyl (Z)-oct-4-enoate.
What is the SMILES notation for methyl (Z)-oct-4-enoate?
The canonical SMILES for methyl (Z)-oct-4-enoate is CCC/C=C\CCC(=O)OC.
What is the InChIKey of methyl (Z)-oct-4-enoate?
The InChIKey is SSPBQLGVUAXSMH-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of methyl (Z)-oct-4-enoate?
methyl (Z)-oct-4-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-oct-4-enoate is sourced from PubChem (CID 5352774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).