2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane

C20H32Si — CID 59069909

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
SMILESC[Si](C)(C1CCC2C=CC=CC21)C1CCC2CCCCC21
InChIInChI=1S/C20H32Si/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3,5,7,9,15-20H,4,6,8,10-14H2,1-2H3
InChIKeyOKOWKLLEDVQFEM-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.19
Rot. Bonds2

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

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 59069909) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID59069909
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane
SMILESC[Si](C)(C1CCC2C=CC=CC21)C1CCC2CCCCC21
InChIInChI=1S/C20H32Si/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3,5,7,9,15-20H,4,6,8,10-14H2,1-2H3
InChIKeyOKOWKLLEDVQFEM-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane (CID 59069909) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane is C[Si](C)(C1CCC2C=CC=CC21)C1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is OKOWKLLEDVQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3,5,7,9,15-20H,4,6,8,10-14H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 300.56 g/mol, XLogP of 6.19, 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-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 59069909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).