(Z)-hexadec-11-enal

C16H30O — CID 5364495

IUPAC(Z)-hexadec-11-enal
SMILESCCCC/C=C\CCCCCCCCCC=O
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
InChIKeyAMTITFMUKRZZEE-WAYWQWQTSA-N
MW238.41 g/mol
LogP5.44
Rot. Bonds13

About (Z)-hexadec-11-enal

(Z)-hexadec-11-enal (PubChem CID 5364495) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (Z)-hexadec-11-enal.

Molecular Properties

Compound Name(Z)-hexadec-11-enal
PubChem CID5364495
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(Z)-hexadec-11-enal
SMILESCCCC/C=C\CCCCCCCCCC=O
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
InChIKeyAMTITFMUKRZZEE-WAYWQWQTSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-hexadec-11-enal?
The IUPAC name of (Z)-hexadec-11-enal (CID 5364495) is (Z)-hexadec-11-enal.
What is the SMILES notation for (Z)-hexadec-11-enal?
The canonical SMILES for (Z)-hexadec-11-enal is CCCC/C=C\CCCCCCCCCC=O.
What is the InChIKey of (Z)-hexadec-11-enal?
The InChIKey is AMTITFMUKRZZEE-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-.
What are the key properties of (Z)-hexadec-11-enal?
(Z)-hexadec-11-enal has a molecular weight of 238.41 g/mol, XLogP of 5.44, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-11-enal is sourced from PubChem (CID 5364495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).