[(Z)-hex-3-enyl] 3-oxobutanoate

C10H16O3 — CID 20836219

IUPAC[(Z)-hex-3-enyl] 3-oxobutanoate
SMILESCC/C=C\CCOC(=O)CC(C)=O
InChIInChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKeyJCPGKFSGEPVXMI-PLNGDYQASA-N
MW184.23 g/mol
LogP1.87
Rot. Bonds6

About [(Z)-hex-3-enyl] 3-oxobutanoate

[(Z)-hex-3-enyl] 3-oxobutanoate (PubChem CID 20836219) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 3-oxobutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 3-oxobutanoate
PubChem CID20836219
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(Z)-hex-3-enyl] 3-oxobutanoate
SMILESCC/C=C\CCOC(=O)CC(C)=O
InChIInChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKeyJCPGKFSGEPVXMI-PLNGDYQASA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 3-oxobutanoate?
The IUPAC name of [(Z)-hex-3-enyl] 3-oxobutanoate (CID 20836219) is [(Z)-hex-3-enyl] 3-oxobutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 3-oxobutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 3-oxobutanoate is CC/C=C\CCOC(=O)CC(C)=O.
What is the InChIKey of [(Z)-hex-3-enyl] 3-oxobutanoate?
The InChIKey is JCPGKFSGEPVXMI-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of [(Z)-hex-3-enyl] 3-oxobutanoate?
[(Z)-hex-3-enyl] 3-oxobutanoate has a molecular weight of 184.23 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 3-oxobutanoate is sourced from PubChem (CID 20836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).