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

C10H18O2 — CID 5352438

IUPAC[(Z)-hex-3-enyl] butanoate
SMILESCC/C=C\CCOC(=O)CCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyZCHOPXVYTWUHDS-WAYWQWQTSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds6

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

[(Z)-hex-3-enyl] butanoate (PubChem CID 5352438) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] butanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] butanoate
PubChem CID5352438
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(Z)-hex-3-enyl] butanoate
SMILESCC/C=C\CCOC(=O)CCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyZCHOPXVYTWUHDS-WAYWQWQTSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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] butanoate?
The IUPAC name of [(Z)-hex-3-enyl] butanoate (CID 5352438) is [(Z)-hex-3-enyl] butanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] butanoate?
The canonical SMILES for [(Z)-hex-3-enyl] butanoate is CC/C=C\CCOC(=O)CCC.
What is the InChIKey of [(Z)-hex-3-enyl] butanoate?
The InChIKey is ZCHOPXVYTWUHDS-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-.
What are the key properties of [(Z)-hex-3-enyl] butanoate?
[(Z)-hex-3-enyl] butanoate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] butanoate is sourced from PubChem (CID 5352438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).