2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane

C18H28Si — CID 162297716

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)C1CCC2CCCCC21
InChIInChI=1S/C18H28Si/c1-19(2,14-15-8-4-3-5-9-15)18-13-12-16-10-6-7-11-17(16)18/h3-5,8-9,16-18H,6-7,10-14H2,1-2H3
InChIKeyDHFHCVQFYXROMN-UHFFFAOYSA-N
MW272.51 g/mol
LogP5.45
Rot. Bonds3

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane (PubChem CID 162297716) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
PubChem CID162297716
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)C1CCC2CCCCC21
InChIInChI=1S/C18H28Si/c1-19(2,14-15-8-4-3-5-9-15)18-13-12-16-10-6-7-11-17(16)18/h3-5,8-9,16-18H,6-7,10-14H2,1-2H3
InChIKeyDHFHCVQFYXROMN-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 55.45
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-dimethyl-phenylsilane
CID 90726871
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
1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 174511423
trans-(1R,2R)-2-N-[[benzyl(dimethyl)silyl]methyl]-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine
CID 132558806
benzyl 1-amino-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate
CID 58143112
benzyl bicyclo[3.2.1]octane-8-carboxylate
CID 154453040
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
CID 101036609
benzyl-fluoro-dimethylsilane
CID 11105764
benzyl-dihydroxy-methylsilane
CID 69074928
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
3-benzyl-4-cycloheptylpiperidine
CID 79320588
[(2S)-2-deuteriocyclohexyl]-dimethyl-(2-phenylethyl)silane
CID 136865379

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane (CID 162297716) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane is C[Si](C)(Cc1ccccc1)C1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane?
The InChIKey is DHFHCVQFYXROMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Si/c1-19(2,14-15-8-4-3-5-9-15)18-13-12-16-10-6-7-11-17(16)18/h3-5,8-9,16-18H,6-7,10-14H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-benzyl-dimethylsilane has a molecular weight of 272.51 g/mol, XLogP of 5.45, 3 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-benzyl-dimethylsilane is sourced from PubChem (CID 162297716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).