3-propylnonanal

C12H24O — CID 54180960

IUPAC3-propylnonanal
SMILESCCCCCCC(CC=O)CCC
InChIInChI=1S/C12H24O/c1-3-5-6-7-9-12(8-4-2)10-11-13/h11-12H,3-10H2,1-2H3
InChIKeyPBTGVJPOMAQWCT-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds9

About 3-propylnonanal

3-propylnonanal (PubChem CID 54180960) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-propylnonanal.

Molecular Properties

Compound Name3-propylnonanal
PubChem CID54180960
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-propylnonanal
SMILESCCCCCCC(CC=O)CCC
InChIInChI=1S/C12H24O/c1-3-5-6-7-9-12(8-4-2)10-11-13/h11-12H,3-10H2,1-2H3
InChIKeyPBTGVJPOMAQWCT-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.96
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'}

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Related Compounds

3-nonyldodecanal
CID 142613821
3-propylheptanal
CID 12639871
7-propyldodecanal
CID 21439180
12-oxo-3-pentyldodec-11-enal
CID 88697935
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
7-methyl-3-pentyloct-6-enal
CID 21430179

Frequently Asked Questions

What is the IUPAC name of 3-propylnonanal?
The IUPAC name of 3-propylnonanal (CID 54180960) is 3-propylnonanal.
What is the SMILES notation for 3-propylnonanal?
The canonical SMILES for 3-propylnonanal is CCCCCCC(CC=O)CCC.
What is the InChIKey of 3-propylnonanal?
The InChIKey is PBTGVJPOMAQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-6-7-9-12(8-4-2)10-11-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-propylnonanal?
3-propylnonanal has a molecular weight of 184.32 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylnonanal is sourced from PubChem (CID 54180960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).