3-Formyl-3-n-propyloxetane

HCID 15021998

Notes Reactions

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Basic information

Standard SMILES: CCCC1(C=O)COC1
InChIKey: YPRJMIHDDZMEJB-UHFFFAOYSA-N
Molecular formula: C7H12O2
Average molar mass: 128.17 g/mol
Monoisotopic mass: 128.08372962

Names & identifiers

Preferred name: 3-Formyl-3-n-propyloxetane
IUPAC: 3-propyloxetane-3-carbaldehyde

Names & synonyms

3-formyl-3-n-propyloxetaneSCHEMBL9258508YPRJMIHDDZMEJB-UHFFFAOYSA-N

Database identifiers

PubChem CID: 15021998

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Related reactions

10 records

New reaction record

HRID 129268 reaction equation

HRID 129268As productuspto-grants-1995_11

HRID 345377 reaction equation

HRID 345377As productuspto-grants-1991_10

HRID 466526 reaction equation

HRID 466526As productuspto-grants-1992_10

HRID 685250 reaction equation

HRID 685250As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1089150 reaction equation

HRID 1089150As productuspto-grants-1990_10

HRID 1197316 reaction equation

HRID 1197316As productuspto-grants-1992_05

HRID 1239721 reaction equation

HRID 1239721As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1491604 reaction equation

HRID 1491604As productuspto-grants-1994_12

Compound notes

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