(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal

C21H38O2 — CID 166748855

IUPAC(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal
SMILESCCCCC/C=C\CCCCC(O)CCC/C=C\CCCC=O
InChIInChI=1S/C21H38O2/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22/h6-8,10,20-21,23H,2-5,9,11-19H2,1H3/b7-6-,10-8-
InChIKeyVDWBIABECKBFLG-INZNQPOWSA-N
MW322.53 g/mol
LogP6.14
Rot. Bonds17

About (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal

(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal (PubChem CID 166748855) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal.

Molecular Properties

Compound Name(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal
PubChem CID166748855
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal
SMILESCCCCC/C=C\CCCCC(O)CCC/C=C\CCCC=O
InChIInChI=1S/C21H38O2/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22/h6-8,10,20-21,23H,2-5,9,11-19H2,1H3/b7-6-,10-8-
InChIKeyVDWBIABECKBFLG-INZNQPOWSA-N
XLogP6.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal?
The IUPAC name of (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal (CID 166748855) is (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal.
What is the SMILES notation for (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal?
The canonical SMILES for (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal is CCCCC/C=C\CCCCC(O)CCC/C=C\CCCC=O.
What is the InChIKey of (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal?
The InChIKey is VDWBIABECKBFLG-INZNQPOWSA-N. The full InChI is InChI=1S/C21H38O2/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22/h6-8,10,20-21,23H,2-5,9,11-19H2,1H3/b7-6-,10-8-.
What are the key properties of (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal?
(5Z,15Z)-10-hydroxyhenicosa-5,15-dienal has a molecular weight of 322.53 g/mol, XLogP of 6.14, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,15Z)-10-hydroxyhenicosa-5,15-dienal is sourced from PubChem (CID 166748855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).