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

C22H42O2 — CID 56936004

IUPAC[(Z)-hex-3-enyl] hexadecanoate
SMILESCC/C=C\CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6-
InChIKeyIUZMHZICJDXCSE-VURMDHGXSA-N
MW338.58 g/mol
LogP7.37
Rot. Bonds18

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

[(Z)-hex-3-enyl] hexadecanoate (PubChem CID 56936004) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] hexadecanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] hexadecanoate
PubChem CID56936004
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name[(Z)-hex-3-enyl] hexadecanoate
SMILESCC/C=C\CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6-
InChIKeyIUZMHZICJDXCSE-VURMDHGXSA-N
XLogP7.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.37
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] hexadecanoate?
The IUPAC name of [(Z)-hex-3-enyl] hexadecanoate (CID 56936004) is [(Z)-hex-3-enyl] hexadecanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] hexadecanoate?
The canonical SMILES for [(Z)-hex-3-enyl] hexadecanoate is CC/C=C\CCOC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of [(Z)-hex-3-enyl] hexadecanoate?
The InChIKey is IUZMHZICJDXCSE-VURMDHGXSA-N. The full InChI is InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6-.
What are the key properties of [(Z)-hex-3-enyl] hexadecanoate?
[(Z)-hex-3-enyl] hexadecanoate has a molecular weight of 338.58 g/mol, XLogP of 7.37, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] hexadecanoate is sourced from PubChem (CID 56936004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).