(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one

C15H22O2Si — CID 101128093

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14-10-13(16)11-8-6-7-9-12(11)14/h6-9,14H,10H2,1-5H3/t14-/m0/s1
InChIKeyVIJPHGXEZIMRIE-AWEZNQCLSA-N
MW262.42 g/mol
LogP4.34
Rot. Bonds2

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one (PubChem CID 101128093) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
PubChem CID101128093
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14-10-13(16)11-8-6-7-9-12(11)14/h6-9,14H,10H2,1-5H3/t14-/m0/s1
InChIKeyVIJPHGXEZIMRIE-AWEZNQCLSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
CID 11347131
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
9-[tert-butyl(dimethyl)silyl]oxy-2-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71282049
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
(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
4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10253459
[(2aS,3S,8bR)-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 11358148

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one (CID 101128093) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one?
The InChIKey is VIJPHGXEZIMRIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-15(2,3)18(4,5)17-14-10-13(16)11-8-6-7-9-12(11)14/h6-9,14H,10H2,1-5H3/t14-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one has a molecular weight of 262.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 101128093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).