4-hexyldec-3-enal

C16H30O — CID 122396286

IUPAC4-hexyldec-3-enal
SMILESCCCCCCC(=CCC=O)CCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-12-16(14-11-15-17)13-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyJEFAUULLVVSDEX-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.44
Rot. Bonds12

About 4-hexyldec-3-enal

4-hexyldec-3-enal (PubChem CID 122396286) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-hexyldec-3-enal.

Molecular Properties

Compound Name4-hexyldec-3-enal
PubChem CID122396286
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-hexyldec-3-enal
SMILESCCCCCCC(=CCC=O)CCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-12-16(14-11-15-17)13-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyJEFAUULLVVSDEX-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.44
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

5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
6-ethylidenehexadecane
CID 169207706
4-propylnon-3-ene
CID 57321984
(E)-3-heptylundec-2-enoyl chloride
CID 178067442
5-oxododec-3-enal
CID 175040606
2-hexyldec-1-en-1-ol
CID 85340680
3-hexylnon-2-enyl dihydrogen phosphate
CID 101268223
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
28-hexylpentaconta-1,28-diene
CID 90932256

Frequently Asked Questions

What is the IUPAC name of 4-hexyldec-3-enal?
The IUPAC name of 4-hexyldec-3-enal (CID 122396286) is 4-hexyldec-3-enal.
What is the SMILES notation for 4-hexyldec-3-enal?
The canonical SMILES for 4-hexyldec-3-enal is CCCCCCC(=CCC=O)CCCCCC.
What is the InChIKey of 4-hexyldec-3-enal?
The InChIKey is JEFAUULLVVSDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-7-9-12-16(14-11-15-17)13-10-8-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-hexyldec-3-enal?
4-hexyldec-3-enal has a molecular weight of 238.41 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyldec-3-enal is sourced from PubChem (CID 122396286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).