2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane

C19H32Si — CID 91477828

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
SMILESC[Si](C)(CC1CCC2CCCCC21)C1CC2C=CC1C2
InChIInChI=1S/C19H32Si/c1-20(2,19-12-14-7-8-16(19)11-14)13-17-10-9-15-5-3-4-6-18(15)17/h7-8,14-19H,3-6,9-13H2,1-2H3
InChIKeyLAOSWRAVXYLJEV-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.88
Rot. Bonds3

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane (PubChem CID 91477828) has the molecular formula C19H32Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
PubChem CID91477828
Molecular FormulaC19H32Si
Molecular Weight288.55 g/mol
Exact Mass288.23
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
SMILESC[Si](C)(CC1CCC2CCCCC21)C1CC2C=CC1C2
InChIInChI=1S/C19H32Si/c1-20(2,19-12-14-7-8-16(19)11-14)13-17-10-9-15-5-3-4-6-18(15)17/h7-8,14-19H,3-6,9-13H2,1-2H3
InChIKeyLAOSWRAVXYLJEV-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane (CID 91477828) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane is C[Si](C)(CC1CCC2CCCCC21)C1CC2C=CC1C2.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The InChIKey is LAOSWRAVXYLJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32Si/c1-20(2,19-12-14-7-8-16(19)11-14)13-17-10-9-15-5-3-4-6-18(15)17/h7-8,14-19H,3-6,9-13H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane has a molecular weight of 288.55 g/mol, XLogP of 5.88, 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-ylmethyl-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane is sourced from PubChem (CID 91477828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).