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

C16H30O2 — CID 5367684

IUPAC[(Z)-hex-3-enyl] decanoate
SMILESCC/C=C\CCOC(=O)CCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6-
InChIKeyAPSRJAGZYONPLL-VURMDHGXSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds12

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

[(Z)-hex-3-enyl] decanoate (PubChem CID 5367684) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] decanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] decanoate
PubChem CID5367684
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(Z)-hex-3-enyl] decanoate
SMILESCC/C=C\CCOC(=O)CCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6-
InChIKeyAPSRJAGZYONPLL-VURMDHGXSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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] decanoate?
The IUPAC name of [(Z)-hex-3-enyl] decanoate (CID 5367684) is [(Z)-hex-3-enyl] decanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] decanoate?
The canonical SMILES for [(Z)-hex-3-enyl] decanoate is CC/C=C\CCOC(=O)CCCCCCCCC.
What is the InChIKey of [(Z)-hex-3-enyl] decanoate?
The InChIKey is APSRJAGZYONPLL-VURMDHGXSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6-.
What are the key properties of [(Z)-hex-3-enyl] decanoate?
[(Z)-hex-3-enyl] decanoate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] decanoate is sourced from PubChem (CID 5367684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).