(Z)-octadec-13-enal

C18H34O — CID 5364497

IUPAC(Z)-octadec-13-enal
SMILESCCCC/C=C\CCCCCCCCCCCC=O
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
InChIKeyQIRGIHPYVVKWTO-WAYWQWQTSA-N
MW266.47 g/mol
LogP6.22
Rot. Bonds15

About (Z)-octadec-13-enal

(Z)-octadec-13-enal (PubChem CID 5364497) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (Z)-octadec-13-enal.

Molecular Properties

Compound Name(Z)-octadec-13-enal
PubChem CID5364497
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(Z)-octadec-13-enal
SMILESCCCC/C=C\CCCCCCCCCCCC=O
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
InChIKeyQIRGIHPYVVKWTO-WAYWQWQTSA-N
XLogP6.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.22
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)-octadec-13-enal?
The IUPAC name of (Z)-octadec-13-enal (CID 5364497) is (Z)-octadec-13-enal.
What is the SMILES notation for (Z)-octadec-13-enal?
The canonical SMILES for (Z)-octadec-13-enal is CCCC/C=C\CCCCCCCCCCCC=O.
What is the InChIKey of (Z)-octadec-13-enal?
The InChIKey is QIRGIHPYVVKWTO-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-.
What are the key properties of (Z)-octadec-13-enal?
(Z)-octadec-13-enal has a molecular weight of 266.47 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-13-enal is sourced from PubChem (CID 5364497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).