6-phenyl-1-oxaspiro[2.5]octane

C13H16O — CID 11052404

IUPAC6-phenyl-1-oxaspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)CO3)cc1
InChIInChI=1S/C13H16O/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)10-14-13/h1-5,12H,6-10H2
InChIKeyRDIINJBTORBOFF-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.11
Rot. Bonds1

About 6-phenyl-1-oxaspiro[2.5]octane

6-phenyl-1-oxaspiro[2.5]octane (PubChem CID 11052404) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-phenyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-phenyl-1-oxaspiro[2.5]octane
PubChem CID11052404
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name6-phenyl-1-oxaspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)CO3)cc1
InChIInChI=1S/C13H16O/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)10-14-13/h1-5,12H,6-10H2
InChIKeyRDIINJBTORBOFF-UHFFFAOYSA-N
XLogP3.11
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-Phenylethyl)oxirane
CID 135955
Benzyl tetrahydropyran
CID 12284886
4-Phenylcyclohexanol
CID 79497
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
1-Methyl-4-phenylcyclohexan-1-ol
CID 11127082
Pyran, 4-phenyltetrahydro-
CID 140726
3-Phenylcyclohexanol
CID 300424
p-Methylphenylbutylene oxide
CID 135842
2-[(4-Phenylphenyl)methyl]oxirane
CID 146833
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940
[(E,3S)-3-methoxy-7-phenylhept-6-enyl]benzene
CID 44560894
AI 3-36206
CID 62071

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-oxaspiro[2.5]octane?
The IUPAC name of 6-phenyl-1-oxaspiro[2.5]octane (CID 11052404) is 6-phenyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-phenyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-phenyl-1-oxaspiro[2.5]octane is c1ccc(C2CCC3(CC2)CO3)cc1.
What is the InChIKey of 6-phenyl-1-oxaspiro[2.5]octane?
The InChIKey is RDIINJBTORBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)10-14-13/h1-5,12H,6-10H2.
What are the key properties of 6-phenyl-1-oxaspiro[2.5]octane?
6-phenyl-1-oxaspiro[2.5]octane has a molecular weight of 188.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 11052404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).