1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane

C15H19O+ — CID 102368152

IUPAC1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane
SMILESc1ccc(C23CCC4CCC(CC2)[O+]43)cc1
InChIInChI=1S/C15H19O/c1-2-4-12(5-3-1)15-10-8-13-6-7-14(9-11-15)16(13)15/h1-5,13-14H,6-11H2/q+1
InChIKeyQYFUIUYPRFSLBY-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.55
Rot. Bonds1

About 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane

1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane (PubChem CID 102368152) has the molecular formula C15H19O+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane.

Molecular Properties

Compound Name1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane
PubChem CID102368152
Molecular FormulaC15H19O+
Molecular Weight215.32 g/mol
Exact Mass215.14
IUPAC Name1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane
SMILESc1ccc(C23CCC4CCC(CC2)[O+]43)cc1
InChIInChI=1S/C15H19O/c1-2-4-12(5-3-1)15-10-8-13-6-7-14(9-11-15)16(13)15/h1-5,13-14H,6-11H2/q+1
InChIKeyQYFUIUYPRFSLBY-UHFFFAOYSA-N
XLogP3.55
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane?
The IUPAC name of 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane (CID 102368152) is 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane.
What is the SMILES notation for 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane?
The canonical SMILES for 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane is c1ccc(C23CCC4CCC(CC2)[O+]43)cc1.
What is the InChIKey of 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane?
The InChIKey is QYFUIUYPRFSLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O/c1-2-4-12(5-3-1)15-10-8-13-6-7-14(9-11-15)16(13)15/h1-5,13-14H,6-11H2/q+1.
What are the key properties of 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane?
1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane has a molecular weight of 215.32 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-oxoniatricyclo[5.2.1.04,10]decane is sourced from PubChem (CID 102368152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).