3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one

C20H20O2 — CID 12539161

IUPAC3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC12CCCC2
InChIInChI=1S/C20H20O2/c21-18-19(13-7-8-14-19)15-20(22-18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKeyXDCJYRDEUHXKGM-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.44
Rot. Bonds2

About 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one

3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 12539161) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID12539161
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC12CCCC2
InChIInChI=1S/C20H20O2/c21-18-19(13-7-8-14-19)15-20(22-18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKeyXDCJYRDEUHXKGM-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one (CID 12539161) is 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one is O=C1OC(c2ccccc2)(c2ccccc2)CC12CCCC2.
What is the InChIKey of 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is XDCJYRDEUHXKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c21-18-19(13-7-8-14-19)15-20(22-18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2.
What are the key properties of 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one?
3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 12539161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).