(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one

C18H24O2Si — CID 11347131

IUPAC(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2=CC(=O)C[C@@H]21
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-14-9-7-6-8-13(14)15-10-12(19)11-16(15)17/h6-10,16-17H,11H2,1-5H3/t16-,17-/m0/s1
InChIKeyQNGLKAISGLVSCO-IRXDYDNUSA-N
MW300.47 g/mol
LogP4.74
Rot. Bonds2

About (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one

(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one (PubChem CID 11347131) has the molecular formula C18H24O2Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one.

Molecular Properties

Compound Name(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
PubChem CID11347131
Molecular FormulaC18H24O2Si
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2=CC(=O)C[C@@H]21
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-14-9-7-6-8-13(14)15-10-12(19)11-16(15)17/h6-10,16-17H,11H2,1-5H3/t16-,17-/m0/s1
InChIKeyQNGLKAISGLVSCO-IRXDYDNUSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655
(4aS,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-3,4,4a,10-tetrahydro-2H-anthracen-1-one
CID 101011976
(4S,5S,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 15835326
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane
CID 56646883
1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
CID 143668942
(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 11327996
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(2R,3S,3aS,9bR)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
CID 139703776
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433

Frequently Asked Questions

What is the IUPAC name of (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one?
The IUPAC name of (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one (CID 11347131) is (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one.
What is the SMILES notation for (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one?
The canonical SMILES for (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one is CC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2=CC(=O)C[C@@H]21.
What is the InChIKey of (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one?
The InChIKey is QNGLKAISGLVSCO-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-17-14-9-7-6-8-13(14)15-10-12(19)11-16(15)17/h6-10,16-17H,11H2,1-5H3/t16-,17-/m0/s1.
What are the key properties of (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one?
(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one has a molecular weight of 300.47 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one is sourced from PubChem (CID 11347131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).