1-methoxypropane;propanal

C7H16O2 — CID 142927001

IUPAC1-methoxypropane;propanal
SMILESCCC=O.CCCOC
InChIInChI=1S/C4H10O.C3H6O/c1-3-4-5-2;1-2-3-4/h3-4H2,1-2H3;3H,2H2,1H3
InChIKeyWGBHHRJTPYZXSS-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.64
Rot. Bonds3

About 1-methoxypropane;propanal

1-methoxypropane;propanal (PubChem CID 142927001) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxypropane;propanal.

Molecular Properties

Compound Name1-methoxypropane;propanal
PubChem CID142927001
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxypropane;propanal
SMILESCCC=O.CCCOC
InChIInChI=1S/C4H10O.C3H6O/c1-3-4-5-2;1-2-3-4/h3-4H2,1-2H3;3H,2H2,1H3
InChIKeyWGBHHRJTPYZXSS-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;propanal?
The IUPAC name of 1-methoxypropane;propanal (CID 142927001) is 1-methoxypropane;propanal.
What is the SMILES notation for 1-methoxypropane;propanal?
The canonical SMILES for 1-methoxypropane;propanal is CCC=O.CCCOC.
What is the InChIKey of 1-methoxypropane;propanal?
The InChIKey is WGBHHRJTPYZXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O/c1-3-4-5-2;1-2-3-4/h3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of 1-methoxypropane;propanal?
1-methoxypropane;propanal has a molecular weight of 132.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;propanal is sourced from PubChem (CID 142927001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).