(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione

C25H26O3 — CID 92982423

IUPAC(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione
SMILESCC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C25H26O3/c1-24(2)15-22(27)25(23(28)16-24)20(17-9-5-3-6-10-17)13-19(26)14-21(25)18-11-7-4-8-12-18/h3-12,20-21H,13-16H2,1-2H3/t20-,21-/m1/s1
InChIKeyXPPIZIALVLDCOF-NHCUHLMSSA-N
MW374.48 g/mol
LogP4.86
Rot. Bonds2

About (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione

(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione (PubChem CID 92982423) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione.

Molecular Properties

Compound Name(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione
PubChem CID92982423
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione
SMILESCC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C25H26O3/c1-24(2)15-22(27)25(23(28)16-24)20(17-9-5-3-6-10-17)13-19(26)14-21(25)18-11-7-4-8-12-18/h3-12,20-21H,13-16H2,1-2H3/t20-,21-/m1/s1
InChIKeyXPPIZIALVLDCOF-NHCUHLMSSA-N
XLogP4.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-oxo-2,6-diphenylcyclohexane-1-carbonitrile
CID 69303844
(7R,11S)-3,3-dimethyl-7-phenyl-11-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,4-dioxaspiro[5.5]undecane-1,5,9-trione
CID 101430018
cis-(3R,4R)-3-methyl-4-phenyl-3-(1-phenylethenyl)cyclopentan-1-one
CID 101083109
11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 11741483
2,2-dimethyl-1,1-dioxo-6-phenylthian-4-one
CID 13480526
trans-ditert-butyl (2S,6S)-4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 102122342
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(3S,5S)-3-phenyl-5-(1H-pyrrol-2-yl)spiro[cyclohexane-4,2'-indene]-1,1',3'-trione
CID 11187806
(3S,5R)-3,5-bis[4-(dimethylamino)phenyl]spiro[cyclohexane-4,2'-indene]-1,1',3'-trione
CID 11476851
(3'S,5'S)-5-bromo-3',5'-diphenylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 57379164
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665
2,2-diethyl-3-(4-phenylphenyl)cyclobutan-1-one
CID 81416301

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione?
The IUPAC name of (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione (CID 92982423) is (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione.
What is the SMILES notation for (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione?
The canonical SMILES for (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione is CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1.
What is the InChIKey of (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione?
The InChIKey is XPPIZIALVLDCOF-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H26O3/c1-24(2)15-22(27)25(23(28)16-24)20(17-9-5-3-6-10-17)13-19(26)14-21(25)18-11-7-4-8-12-18/h3-12,20-21H,13-16H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione?
(7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione has a molecular weight of 374.48 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-3,3-dimethyl-7,11-diphenylspiro[5.5]undecane-1,5,9-trione is sourced from PubChem (CID 92982423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).