(E)-dodec-7-enal;(Z)-dodec-2-ene

C24H46O — CID 174913601

IUPAC(E)-dodec-7-enal;(Z)-dodec-2-ene
SMILESC/C=C\CCCCCCCCC.CCCC/C=C/CCCCCC=O
InChIInChI=1S/C12H22O.C12H24/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-12-10-8-6-4-2/h5-6,12H,2-4,7-11H2,1H3;3,5H,4,6-12H2,1-2H3/b6-5+;5-3-
InChIKeySBHHKRNQRZKLBY-GYZKBUCNSA-N
MW350.63 g/mol
LogP8.59
Rot. Bonds17

About (E)-dodec-7-enal;(Z)-dodec-2-ene

(E)-dodec-7-enal;(Z)-dodec-2-ene (PubChem CID 174913601) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is (E)-dodec-7-enal;(Z)-dodec-2-ene.

Molecular Properties

Compound Name(E)-dodec-7-enal;(Z)-dodec-2-ene
PubChem CID174913601
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name(E)-dodec-7-enal;(Z)-dodec-2-ene
SMILESC/C=C\CCCCCCCCC.CCCC/C=C/CCCCCC=O
InChIInChI=1S/C12H22O.C12H24/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-12-10-8-6-4-2/h5-6,12H,2-4,7-11H2,1H3;3,5H,4,6-12H2,1-2H3/b6-5+;5-3-
InChIKeySBHHKRNQRZKLBY-GYZKBUCNSA-N
XLogP8.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.59
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)-octadec-13-enal
CID 5367670
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
hexadeca-7,11-dienal
CID 543335
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadeca-2,10-diene
CID 54270716

Frequently Asked Questions

What is the IUPAC name of (E)-dodec-7-enal;(Z)-dodec-2-ene?
The IUPAC name of (E)-dodec-7-enal;(Z)-dodec-2-ene (CID 174913601) is (E)-dodec-7-enal;(Z)-dodec-2-ene.
What is the SMILES notation for (E)-dodec-7-enal;(Z)-dodec-2-ene?
The canonical SMILES for (E)-dodec-7-enal;(Z)-dodec-2-ene is C/C=C\CCCCCCCCC.CCCC/C=C/CCCCCC=O.
What is the InChIKey of (E)-dodec-7-enal;(Z)-dodec-2-ene?
The InChIKey is SBHHKRNQRZKLBY-GYZKBUCNSA-N. The full InChI is InChI=1S/C12H22O.C12H24/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-7-9-11-12-10-8-6-4-2/h5-6,12H,2-4,7-11H2,1H3;3,5H,4,6-12H2,1-2H3/b6-5+;5-3-.
What are the key properties of (E)-dodec-7-enal;(Z)-dodec-2-ene?
(E)-dodec-7-enal;(Z)-dodec-2-ene has a molecular weight of 350.63 g/mol, XLogP of 8.59, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-7-enal;(Z)-dodec-2-ene is sourced from PubChem (CID 174913601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).