1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one

C22H24O4 — CID 134928087

IUPAC1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one
SMILESCC1(O)OOC(c2ccccc2)(c2ccccc2)CC12CCCCC2=O
InChIInChI=1S/C22H24O4/c1-20(24)21(15-9-8-14-19(21)23)16-22(26-25-20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,24H,8-9,14-16H2,1H3
InChIKeyJTGWJPWKQVYIAS-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.12
Rot. Bonds2

About 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one

1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one (PubChem CID 134928087) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one
PubChem CID134928087
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one
SMILESCC1(O)OOC(c2ccccc2)(c2ccccc2)CC12CCCCC2=O
InChIInChI=1S/C22H24O4/c1-20(24)21(15-9-8-14-19(21)23)16-22(26-25-20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,24H,8-9,14-16H2,1H3
InChIKeyJTGWJPWKQVYIAS-UHFFFAOYSA-N
XLogP4.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one
CID 361630
3-[8-(2-Carboxyethyl)-9,10-dioxatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-1-yl]propanoic acid
CID 114747
6-Hydroxy-1,6-diphenylheptan-4-one
CID 42613276
5-Hydroxy-1,5-diphenylhexan-3-one
CID 46888754
Hydracrylic acid, 3-(4-biphenylyl)-3-(p-tolyl)-, (+-)-
CID 3054482
Methyl 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 21782621
Methyl 3-methoxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 155514376
Methyl 3-butyl-3-hydroxy-6,6-diphenyldioxane-4-carboxylate
CID 155548663
1,4-Etheno-2,3-benzodioxin-1,4-dipropanoic acid sodium salt
CID 6335809
1-[6,6-Bis(4-fluorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872232
1-Methylnaphthalene-4-propionate endoperoxide
CID 13640687
1-[6,6-Bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872229

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one?
The IUPAC name of 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one (CID 134928087) is 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one.
What is the SMILES notation for 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one?
The canonical SMILES for 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one is CC1(O)OOC(c2ccccc2)(c2ccccc2)CC12CCCCC2=O.
What is the InChIKey of 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one?
The InChIKey is JTGWJPWKQVYIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-20(24)21(15-9-8-14-19(21)23)16-22(26-25-20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,24H,8-9,14-16H2,1H3.
What are the key properties of 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one?
1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one has a molecular weight of 352.43 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methyl-4,4-diphenyl-2,3-dioxaspiro[5.5]undecan-11-one is sourced from PubChem (CID 134928087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).