propanal;propane

C9H22O — CID 91031727

IUPACpropanal;propane
SMILESCCC.CCC.CCC=O
InChIInChI=1S/C3H6O.2C3H8/c1-2-3-4;2*1-3-2/h3H,2H2,1H3;2*3H2,1-2H3
InChIKeyIFZBGHMLXDXBNZ-UHFFFAOYSA-N
MW146.27 g/mol
LogP3.43
Rot. Bonds1

About propanal;propane

propanal;propane (PubChem CID 91031727) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is propanal;propane.

Molecular Properties

Compound Namepropanal;propane
PubChem CID91031727
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Namepropanal;propane
SMILESCCC.CCC.CCC=O
InChIInChI=1S/C3H6O.2C3H8/c1-2-3-4;2*1-3-2/h3H,2H2,1H3;2*3H2,1-2H3
InChIKeyIFZBGHMLXDXBNZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanal;propane?
The IUPAC name of propanal;propane (CID 91031727) is propanal;propane.
What is the SMILES notation for propanal;propane?
The canonical SMILES for propanal;propane is CCC.CCC.CCC=O.
What is the InChIKey of propanal;propane?
The InChIKey is IFZBGHMLXDXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C3H8/c1-2-3-4;2*1-3-2/h3H,2H2,1H3;2*3H2,1-2H3.
What are the key properties of propanal;propane?
propanal;propane has a molecular weight of 146.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanal;propane is sourced from PubChem (CID 91031727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).