[(Z)-hex-3-enyl] 4-oxopentanoate

C11H18O3 — CID 20836241

IUPAC[(Z)-hex-3-enyl] 4-oxopentanoate
SMILESCC/C=C\CCOC(=O)CCC(C)=O
InChIInChI=1S/C11H18O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyWVABNTSULPSDJL-PLNGDYQASA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds7

About [(Z)-hex-3-enyl] 4-oxopentanoate

[(Z)-hex-3-enyl] 4-oxopentanoate (PubChem CID 20836241) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 4-oxopentanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 4-oxopentanoate
PubChem CID20836241
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[(Z)-hex-3-enyl] 4-oxopentanoate
SMILESCC/C=C\CCOC(=O)CCC(C)=O
InChIInChI=1S/C11H18O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyWVABNTSULPSDJL-PLNGDYQASA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenyl hexanoate, (3Z)-
CID 5352543
Hexenyl valerate, (3Z)-
CID 5367682
3-Hexenyl hexanoate, (3E)-
CID 5352975
cis-3-HEXENYLVALERATE
CID 92573
(E)-Hex-3-enyl valerate
CID 5352976
Hex-3-en-1-yl hexanoate
CID 61895
R-cucujolide V
CID 56936048
(z)-3-Octenyl butyrate
CID 92034053
Ethyl (Z)-5-octenoate
CID 12525570
(z,z)-5,8-Tetradecadien-13-olide
CID 11009557
5-Heptenoic acid propan-2-yl-ester
CID 123638530
(1s)-1-Methylpropyl (5z)-dec-5-enoate
CID 145925861

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 4-oxopentanoate?
The IUPAC name of [(Z)-hex-3-enyl] 4-oxopentanoate (CID 20836241) is [(Z)-hex-3-enyl] 4-oxopentanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 4-oxopentanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 4-oxopentanoate is CC/C=C\CCOC(=O)CCC(C)=O.
What is the InChIKey of [(Z)-hex-3-enyl] 4-oxopentanoate?
The InChIKey is WVABNTSULPSDJL-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h4-5H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of [(Z)-hex-3-enyl] 4-oxopentanoate?
[(Z)-hex-3-enyl] 4-oxopentanoate has a molecular weight of 198.26 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 4-oxopentanoate is sourced from PubChem (CID 20836241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).