7-propyldodecanal

C15H30O — CID 21439180

IUPAC7-propyldodecanal
SMILESCCCCCC(CCC)CCCCCC=O
InChIInChI=1S/C15H30O/c1-3-5-8-12-15(11-4-2)13-9-6-7-10-14-16/h14-15H,3-13H2,1-2H3
InChIKeyZCOICGHOOJRBPY-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.13
Rot. Bonds12

About 7-propyldodecanal

7-propyldodecanal (PubChem CID 21439180) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 7-propyldodecanal.

Molecular Properties

Compound Name7-propyldodecanal
PubChem CID21439180
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name7-propyldodecanal
SMILESCCCCCC(CCC)CCCCCC=O
InChIInChI=1S/C15H30O/c1-3-5-8-12-15(11-4-2)13-9-6-7-10-14-16/h14-15H,3-13H2,1-2H3
InChIKeyZCOICGHOOJRBPY-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.13
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

5-ethylundecanal
CID 54527856
magnesium;hydride;5-propyloctanal
CID 173415253
decanal;decane
CID 157361056
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
3-propylnonanal
CID 54180960
7-(hydroxymethyl)undecanal
CID 123467970

Frequently Asked Questions

What is the IUPAC name of 7-propyldodecanal?
The IUPAC name of 7-propyldodecanal (CID 21439180) is 7-propyldodecanal.
What is the SMILES notation for 7-propyldodecanal?
The canonical SMILES for 7-propyldodecanal is CCCCCC(CCC)CCCCCC=O.
What is the InChIKey of 7-propyldodecanal?
The InChIKey is ZCOICGHOOJRBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-8-12-15(11-4-2)13-9-6-7-10-14-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 7-propyldodecanal?
7-propyldodecanal has a molecular weight of 226.40 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyldodecanal is sourced from PubChem (CID 21439180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).