methane;propanal

C4H10O — CID 159115270

IUPACmethane;propanal
SMILESC.CCC=O
InChIInChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4
InChIKeyKEZRUHOPBKEQIV-UHFFFAOYSA-N
MW74.12 g/mol
LogP1.23
Rot. Bonds1

About methane;propanal

methane;propanal (PubChem CID 159115270) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is methane;propanal.

Molecular Properties

Compound Namemethane;propanal
PubChem CID159115270
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Namemethane;propanal
SMILESC.CCC=O
InChIInChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4
InChIKeyKEZRUHOPBKEQIV-UHFFFAOYSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 51.23
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 methane;propanal?
The IUPAC name of methane;propanal (CID 159115270) is methane;propanal.
What is the SMILES notation for methane;propanal?
The canonical SMILES for methane;propanal is C.CCC=O.
What is the InChIKey of methane;propanal?
The InChIKey is KEZRUHOPBKEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4.
What are the key properties of methane;propanal?
methane;propanal has a molecular weight of 74.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propanal is sourced from PubChem (CID 159115270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).