CID 90782135

C17H29BO2SSi — CID 90782135

IUPAC—
SMILES[B]Cc1c(C)sc(C)c1[C@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29BO2SSi/c1-11-13(8-18)16(12(2)21-11)14-9-19-10-15(14)20-22(6,7)17(3,4)5/h14-15H,8-10H2,1-7H3/t14-,15-/m0/s1
InChIKeyXCKDFEPCIIPZKD-GJZGRUSLSA-N
MW336.38 g/mol
LogP4.54
Rot. Bonds4

About CID 90782135

CID 90782135 (PubChem CID 90782135) has the molecular formula C17H29BO2SSi and a molecular weight of 336.38 g/mol.

Molecular Properties

Compound NameCID 90782135
PubChem CID90782135
Molecular FormulaC17H29BO2SSi
Molecular Weight336.38 g/mol
Exact Mass336.18
IUPAC Name—
SMILES[B]Cc1c(C)sc(C)c1[C@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29BO2SSi/c1-11-13(8-18)16(12(2)21-11)14-9-19-10-15(14)20-22(6,7)17(3,4)5/h14-15H,8-10H2,1-7H3/t14-,15-/m0/s1
InChIKeyXCKDFEPCIIPZKD-GJZGRUSLSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane
CID 102470285
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
CID 135040437
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
[(6R,8R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-3,5,6,7,8,8a-hexahydro-1H-isochromen-8-yl]oxy-tert-butyl-dimethylsilane
CID 11729045
tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3,4-dihydro-2H-pyrrol-4-yl]oxy]-dimethylsilane
CID 102470284
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,7-hexahydro-2,1-benzoxazole-4,5-diol
CID 67793468
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544
(1S,3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethylbicyclo[2.2.2]octan-2-one
CID 124605260

Frequently Asked Questions

What is the IUPAC name of CID 90782135?
The IUPAC name of CID 90782135 (CID 90782135) is not available.
What is the SMILES notation for CID 90782135?
The canonical SMILES for CID 90782135 is [B]Cc1c(C)sc(C)c1[C@H]1COC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 90782135?
The InChIKey is XCKDFEPCIIPZKD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H29BO2SSi/c1-11-13(8-18)16(12(2)21-11)14-9-19-10-15(14)20-22(6,7)17(3,4)5/h14-15H,8-10H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of CID 90782135?
CID 90782135 has a molecular weight of 336.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90782135 is sourced from PubChem (CID 90782135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).