4-dodec-1-en-3-ylbenzaldehyde

C19H28O — CID 142770295

IUPAC4-dodec-1-en-3-ylbenzaldehyde
SMILESC=CC(CCCCCCCCC)c1ccc(C=O)cc1
InChIInChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-18(4-2)19-14-12-17(16-20)13-15-19/h4,12-16,18H,2-3,5-11H2,1H3
InChIKeyAIFUQFMZNSRBCJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.91
Rot. Bonds11

About 4-dodec-1-en-3-ylbenzaldehyde

4-dodec-1-en-3-ylbenzaldehyde (PubChem CID 142770295) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-dodec-1-en-3-ylbenzaldehyde.

Molecular Properties

Compound Name4-dodec-1-en-3-ylbenzaldehyde
PubChem CID142770295
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name4-dodec-1-en-3-ylbenzaldehyde
SMILESC=CC(CCCCCCCCC)c1ccc(C=O)cc1
InChIInChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-18(4-2)19-14-12-17(16-20)13-15-19/h4,12-16,18H,2-3,5-11H2,1H3
InChIKeyAIFUQFMZNSRBCJ-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.91
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

1-methyl-4-oct-1-en-3-ylbenzene
CID 11805787
1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene
CID 51353770
4-dodec-1-en-5-ylbenzaldehyde
CID 142767479
4-dodecan-3-ylbenzaldehyde
CID 57123935
4-(1-hydroxyhexyl)benzaldehyde
CID 22246899
2-(4-formylphenyl)octanoic acid
CID 141188733
2-dec-1-en-3-yl-7-iodophenanthrene-9,10-dione
CID 163627333
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
4-(hexyliminomethyl)benzaldehyde
CID 87557780
4-dodecylsulfanylbenzaldehyde
CID 54048765
2-pentadec-1-en-3-ylphenol
CID 67611246
4-hexan-3-ylbenzaldehyde
CID 142249319

Frequently Asked Questions

What is the IUPAC name of 4-dodec-1-en-3-ylbenzaldehyde?
The IUPAC name of 4-dodec-1-en-3-ylbenzaldehyde (CID 142770295) is 4-dodec-1-en-3-ylbenzaldehyde.
What is the SMILES notation for 4-dodec-1-en-3-ylbenzaldehyde?
The canonical SMILES for 4-dodec-1-en-3-ylbenzaldehyde is C=CC(CCCCCCCCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-dodec-1-en-3-ylbenzaldehyde?
The InChIKey is AIFUQFMZNSRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-18(4-2)19-14-12-17(16-20)13-15-19/h4,12-16,18H,2-3,5-11H2,1H3.
What are the key properties of 4-dodec-1-en-3-ylbenzaldehyde?
4-dodec-1-en-3-ylbenzaldehyde has a molecular weight of 272.43 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodec-1-en-3-ylbenzaldehyde is sourced from PubChem (CID 142770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).