(2E,4E)-dodeca-2,4-dienal

C12H20O — CID 5367530

IUPAC(2E,4E)-dodeca-2,4-dienal
SMILESCCCCCCC/C=C/C=C/C=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
InChIKeyQKTZBZWNADPFOL-BNFZFUHLSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds8

About (2E,4E)-dodeca-2,4-dienal

(2E,4E)-dodeca-2,4-dienal (PubChem CID 5367530) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,4E)-dodeca-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-dodeca-2,4-dienal
PubChem CID5367530
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2E,4E)-dodeca-2,4-dienal
SMILESCCCCCCC/C=C/C=C/C=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
InChIKeyQKTZBZWNADPFOL-BNFZFUHLSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.66
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(2Z)-deca-2,4-dienal
CID 87792972
deca-2,4-dienal;ethanol
CID 173139337
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
dodec-2-enal;(E)-hex-2-enal
CID 159709120
pentadeca-2,7-dienal
CID 140791013
(22E)-heptatetraconta-22,24-diene
CID 56629131
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
(5E,7E)-hexadeca-5,7-diene
CID 13032294

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-dodeca-2,4-dienal?
The IUPAC name of (2E,4E)-dodeca-2,4-dienal (CID 5367530) is (2E,4E)-dodeca-2,4-dienal.
What is the SMILES notation for (2E,4E)-dodeca-2,4-dienal?
The canonical SMILES for (2E,4E)-dodeca-2,4-dienal is CCCCCCC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-dodeca-2,4-dienal?
The InChIKey is QKTZBZWNADPFOL-BNFZFUHLSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+.
What are the key properties of (2E,4E)-dodeca-2,4-dienal?
(2E,4E)-dodeca-2,4-dienal has a molecular weight of 180.29 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-dodeca-2,4-dienal is sourced from PubChem (CID 5367530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).