2-Phenyl-1-oxaspiro[2.5]octane

HCID 254814CAS 37545-92-9

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Basic information

Standard SMILES: c1ccc(C2OC23CCCCC3)cc1
InChIKey: NEVVTFWFRCKGLF-UHFFFAOYSA-N
Molecular formula: C13H16O
Average molar mass: 188.26 g/mol

Names & identifiers

Preferred name: 2-Phenyl-1-oxaspiro[2.5]octane
IUPAC: 2-phenyl-1-oxaspiro[2.5]octane
English name: 1-Oxaspiro[2.5]octane,2-phenyl-
Molecular formula: C13H16O
Molecular weight: 188.27

Names & synonyms

2-Phenyl-1-oxaspiro[2.5]octane37545-92-92-Phenyl-1-oxa-spiro[2.5]octane1-Oxaspiro[2.5]octane, 2-phenyl-MFCD11226354NSC794382-Phenyl-1-oxaspiro(2.5)octane1-Oxaspiro[2.5]octane,2-phenyl-1-phenyl-2-oxaspiro[2.5]octaneNSC 79438NCIOpen2_000746SCHEMBL4289634

Show more names

NSC-794382-Phenyl-1-oxaspiro[2.5]octane #AKOS005256670DS-003137F88315F526715

Database identifiers

CAS: 37545-92-9
PubChem CID: 254814
Nikkaji: J2.210.493D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 199

Physicochemical properties

Boiling point: 301.1 · 301.1±11.0 °C(Predicted)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
InChI: InChI=1S/C13H16O/c1-3-7-11(8-4-1)12-13(14-12)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey: NEVVTFWFRCKGLF-UHFFFAOYSA-N
SMILES: O1C2(CCCCC2)C1C1=CC=CC=C1