2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane

C17H26Si — CID 90726871

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCC2CCCCC21
InChIInChI=1S/C17H26Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-5,9-10,14,16-17H,6-8,11-13H2,1-2H3
InChIKeyXJTRROQOIFAKEC-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.57
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane (PubChem CID 90726871) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
PubChem CID90726871
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCC2CCCCC21
InChIInChI=1S/C17H26Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-5,9-10,14,16-17H,6-8,11-13H2,1-2H3
InChIKeyXJTRROQOIFAKEC-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
CID 162297716
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cyclopentyl-dimethyl-phenylsilane
CID 59962320
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
CID 162282348
[(2R,3S)-2-butyl-4-cyclohexyloxolan-3-yl]-dimethyl-phenylsilane
CID 11067934
cyclopentyl-methyl-diphenylsilane
CID 123376620
dimethyl-(2-methylidenecyclohexyl)-phenylsilane
CID 13299161
(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 134901133
dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane
CID 21145343
dimethyl-[(2R)-1-oxidopiperidin-2-yl]-phenylsilane
CID 162460450
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane (CID 90726871) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane?
The InChIKey is XJTRROQOIFAKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Si/c1-18(2,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)17/h3-5,9-10,14,16-17H,6-8,11-13H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane has a molecular weight of 258.48 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane is sourced from PubChem (CID 90726871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).