(6E,12E)-octadeca-6,12-dienal

C18H32O — CID 10220937

IUPAC(6E,12E)-octadeca-6,12-dienal
SMILESCCCCC/C=C/CCCC/C=C/CCCCC=O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3/b7-6+,13-12+
InChIKeyAAAPUEPXRKQNKE-GYIPPJPDSA-N
MW264.45 g/mol
LogP6.00
Rot. Bonds14

About (6E,12E)-octadeca-6,12-dienal

(6E,12E)-octadeca-6,12-dienal (PubChem CID 10220937) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (6E,12E)-octadeca-6,12-dienal.

Molecular Properties

Compound Name(6E,12E)-octadeca-6,12-dienal
PubChem CID10220937
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(6E,12E)-octadeca-6,12-dienal
SMILESCCCCC/C=C/CCCC/C=C/CCCCC=O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3/b7-6+,13-12+
InChIKeyAAAPUEPXRKQNKE-GYIPPJPDSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 56.00
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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Related Compounds

(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(E)-octadec-13-enal
CID 5367670
icosa-5,8,11,14-tetraenal
CID 54011823
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
hexadeca-7,11-dienal
CID 543335

Frequently Asked Questions

What is the IUPAC name of (6E,12E)-octadeca-6,12-dienal?
The IUPAC name of (6E,12E)-octadeca-6,12-dienal (CID 10220937) is (6E,12E)-octadeca-6,12-dienal.
What is the SMILES notation for (6E,12E)-octadeca-6,12-dienal?
The canonical SMILES for (6E,12E)-octadeca-6,12-dienal is CCCCC/C=C/CCCC/C=C/CCCCC=O.
What is the InChIKey of (6E,12E)-octadeca-6,12-dienal?
The InChIKey is AAAPUEPXRKQNKE-GYIPPJPDSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3/b7-6+,13-12+.
What are the key properties of (6E,12E)-octadeca-6,12-dienal?
(6E,12E)-octadeca-6,12-dienal has a molecular weight of 264.45 g/mol, XLogP of 6.00, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,12E)-octadeca-6,12-dienal is sourced from PubChem (CID 10220937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).