2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole

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Basic information

CAS: 34331-80-1
Standard SMILES: CCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1
InChIKey: NVSOSXIRJQBCAP-UHFFFAOYSA-N
Molecular formula: C22H43NO
Average molar mass: 337.6 g/mol
Monoisotopic mass: 337.334465

Overview

See also: Oxazole, 2-heptadecyl-4,5-dihydro-4,4-dimethyl- (annotation moved to).

Names & identifiers

Preferred name: 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
IUPAC: 2-heptadecyl-4,4-dimethyl-5H-1,3-oxazole
English name: Oxazole, 2-heptadecyl-4,5-dihydro-4,4-dimethyl-
Molecular weight: 0

Names & synonyms

34331-80-12-heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazoleNSC177284,4-dimethyl-2-heptadecyl-2-oxazolineOxazole, 2-heptadecyl-4,5-dihydro-4,4-dimethyl-SCHEMBL9787850DTXSID30280636Octadecanoic acid, DMOX derivativeNSC-17728

Database identifiers

CAS: 34331-80-1
PubChem CID: 226850
DTXSID: DTXSID30280636
Nikkaji: J2.253.056I

Properties

Computed structural properties

XLogP: 8.8
Topological polar surface area: 21.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 16
Heavy atoms: 24
Formal charge: 0
Complexity: 322

Related reactions

2 records

New reaction record

HRID 1086425As productuspto-grants-1991_07

HRID 2352198As productuspto-grants-1989_10

Compound notes

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