(2Z,4E)-heptadeca-2,4-dienal

C17H30O — CID 167495571

IUPAC(2Z,4E)-heptadeca-2,4-dienal
SMILESCCCCCCCCCCCC/C=C/C=C\C=O
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h13-17H,2-12H2,1H3/b14-13+,16-15-
InChIKeyKLJYMXFBFWJJRX-MSBKQZQESA-N
MW250.43 g/mol
LogP5.61
Rot. Bonds13

About (2Z,4E)-heptadeca-2,4-dienal

(2Z,4E)-heptadeca-2,4-dienal (PubChem CID 167495571) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2Z,4E)-heptadeca-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-heptadeca-2,4-dienal
PubChem CID167495571
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2Z,4E)-heptadeca-2,4-dienal
SMILESCCCCCCCCCCCC/C=C/C=C\C=O
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h13-17H,2-12H2,1H3/b14-13+,16-15-
InChIKeyKLJYMXFBFWJJRX-MSBKQZQESA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.61
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
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(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
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-heptadeca-2,4-dienal?
The IUPAC name of (2Z,4E)-heptadeca-2,4-dienal (CID 167495571) is (2Z,4E)-heptadeca-2,4-dienal.
What is the SMILES notation for (2Z,4E)-heptadeca-2,4-dienal?
The canonical SMILES for (2Z,4E)-heptadeca-2,4-dienal is CCCCCCCCCCCC/C=C/C=C\C=O.
What is the InChIKey of (2Z,4E)-heptadeca-2,4-dienal?
The InChIKey is KLJYMXFBFWJJRX-MSBKQZQESA-N. The full InChI is InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h13-17H,2-12H2,1H3/b14-13+,16-15-.
What are the key properties of (2Z,4E)-heptadeca-2,4-dienal?
(2Z,4E)-heptadeca-2,4-dienal has a molecular weight of 250.43 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-heptadeca-2,4-dienal is sourced from PubChem (CID 167495571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).