[(Z)-hex-3-enyl] 2-oxopropanoate

C9H14O3 — CID 5363291

IUPAC[(Z)-hex-3-enyl] 2-oxopropanoate
SMILESCC/C=C\CCOC(=O)C(C)=O
InChIInChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyLKNXTZXOBHAYSR-PLNGDYQASA-N
MW170.21 g/mol
LogP1.47
Rot. Bonds5

About [(Z)-hex-3-enyl] 2-oxopropanoate

[(Z)-hex-3-enyl] 2-oxopropanoate (PubChem CID 5363291) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 2-oxopropanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 2-oxopropanoate
PubChem CID5363291
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(Z)-hex-3-enyl] 2-oxopropanoate
SMILESCC/C=C\CCOC(=O)C(C)=O
InChIInChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyLKNXTZXOBHAYSR-PLNGDYQASA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
CID 15461361
[(3E,6Z)-nona-3,6-dienyl] (Z)-2-methylbut-2-enoate
CID 91692546
acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527
[(E)-hex-3-enyl] carbonochloridate
CID 13308511
bis(hex-3-enyl) propanedioate
CID 54313444
[(E)-hex-3-enyl] 3-oxobutanoate
CID 6365957
2-(2-oxopropanoyloxy)ethyl 2-oxopropanoate
CID 88878043
hex-3-enyl 2,2-dimethylpropanoate
CID 3019988
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
[(E)-hex-3-enyl] 2-chloropropanoate
CID 5463678
(E)-4-[(Z)-hex-3-enoxy]-4-oxobut-2-enoic acid
CID 87622637
1-O-ethyl 4-O-[(E)-hex-3-enyl] butanedioate
CID 91697922

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 2-oxopropanoate?
The IUPAC name of [(Z)-hex-3-enyl] 2-oxopropanoate (CID 5363291) is [(Z)-hex-3-enyl] 2-oxopropanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 2-oxopropanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 2-oxopropanoate is CC/C=C\CCOC(=O)C(C)=O.
What is the InChIKey of [(Z)-hex-3-enyl] 2-oxopropanoate?
The InChIKey is LKNXTZXOBHAYSR-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of [(Z)-hex-3-enyl] 2-oxopropanoate?
[(Z)-hex-3-enyl] 2-oxopropanoate has a molecular weight of 170.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 2-oxopropanoate is sourced from PubChem (CID 5363291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).