7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one

C20H20O4 — CID 14983156

IUPAC7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one
SMILESCC12CC(c3ccccc3)(c3ccccc3)OOC1(O)CCC2=O
InChIInChI=1S/C20H20O4/c1-18-14-19(15-8-4-2-5-9-15,16-10-6-3-7-11-16)23-24-20(18,22)13-12-17(18)21/h2-11,22H,12-14H2,1H3
InChIKeyQSQJMEBAXTVKKG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds2

About 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one

7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one (PubChem CID 14983156) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one.

Molecular Properties

Compound Name7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one
PubChem CID14983156
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one
SMILESCC12CC(c3ccccc3)(c3ccccc3)OOC1(O)CCC2=O
InChIInChI=1S/C20H20O4/c1-18-14-19(15-8-4-2-5-9-15,16-10-6-3-7-11-16)23-24-20(18,22)13-12-17(18)21/h2-11,22H,12-14H2,1H3
InChIKeyQSQJMEBAXTVKKG-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one with MolForge

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Related Compounds

Methyl 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 21782621
Methyl 3-butyl-3-hydroxy-6,6-diphenyldioxane-4-carboxylate
CID 155548663
1-[6,6-Bis(4-fluorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872232
1-(3-Hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
CID 14983159
1-[3-Hydroxy-3-methyl-6,6-bis(4-methylphenyl)dioxan-4-yl]ethanone
CID 14872231
1-(7a-hydroxy-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[c][1,2]dioxin-4a-yl)ethanone
CID 11521784
6-Hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one
CID 11586996
1-Hydroxy-1-methyl-4-phenyl-2,3-dioxaspiro[5.5]undecan-11-one
CID 11594279
(3R,4aR,7aS)-7a-hydroxy-4a-methyl-3-phenyl-3,4,6,7-tetrahydrocyclopenta[c][1,2]dioxin-5-one
CID 13757548
4-Acetyl-3-methyl-6,6-diphenyl-1,2-dioxan-3-ol
CID 14872228
8a-Hydroxy-4a-methyl-3,3-diphenyl-4,6,7,8-tetrahydrobenzo[c][1,2]dioxin-5-one
CID 14983155
1-Hydroxy-4,4-diphenyl-2,3-dioxabicyclo[4.4.0]decan-7-one
CID 14983160

Frequently Asked Questions

What is the IUPAC name of 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one?
The IUPAC name of 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one (CID 14983156) is 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one.
What is the SMILES notation for 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one?
The canonical SMILES for 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one is CC12CC(c3ccccc3)(c3ccccc3)OOC1(O)CCC2=O.
What is the InChIKey of 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one?
The InChIKey is QSQJMEBAXTVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-18-14-19(15-8-4-2-5-9-15,16-10-6-3-7-11-16)23-24-20(18,22)13-12-17(18)21/h2-11,22H,12-14H2,1H3.
What are the key properties of 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one?
7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one has a molecular weight of 324.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one is sourced from PubChem (CID 14983156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).