(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one

C25H32O2Si — CID 10453157

IUPAC(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32O2Si/c1-24(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-17-11-19-25(23)18-10-16-22(25)26/h4-9,12-15,23H,10-11,16-19H2,1-3H3/t23-,25-/m1/s1
InChIKeyTZEFUSXFQJDZHD-ILBGXUMGSA-N
MW392.62 g/mol
LogP4.85
Rot. Bonds4

About (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one

(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one (PubChem CID 10453157) has the molecular formula C25H32O2Si and a molecular weight of 392.62 g/mol. Its IUPAC name is (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
PubChem CID10453157
Molecular FormulaC25H32O2Si
Molecular Weight392.62 g/mol
Exact Mass392.22
IUPAC Name(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32O2Si/c1-24(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-17-11-19-25(23)18-10-16-22(25)26/h4-9,12-15,23H,10-11,16-19H2,1-3H3/t23-,25-/m1/s1
InChIKeyTZEFUSXFQJDZHD-ILBGXUMGSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
CID 173098272
(3R,4S,5S,9S)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethynyl-2-oxadispiro[2.0.54.43]tridecan-13-one
CID 10505114
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
(1S,3S,7aS)-1-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 10072268
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one?
The IUPAC name of (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one (CID 10453157) is (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one.
What is the SMILES notation for (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one?
The canonical SMILES for (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one is CC(C)(C)[Si](O[C@@H]1CCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one?
The InChIKey is TZEFUSXFQJDZHD-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H32O2Si/c1-24(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-17-11-19-25(23)18-10-16-22(25)26/h4-9,12-15,23H,10-11,16-19H2,1-3H3/t23-,25-/m1/s1.
What are the key properties of (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one?
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one has a molecular weight of 392.62 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one is sourced from PubChem (CID 10453157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).