[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane

C12H22Si — CID 135010183

IUPAC[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1C=C[C@@H]2CCCC[C@H]12
InChIInChI=1S/C12H22Si/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h8-12H,4-7H2,1-3H3/t10-,11-,12?/m0/s1
InChIKeyCWLBOQWYXCPNSL-NDQFZYFBSA-N
MW194.39 g/mol
LogP4.07
Rot. Bonds1

About [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane

[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane (PubChem CID 135010183) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane
PubChem CID135010183
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1C=C[C@@H]2CCCC[C@H]12
InChIInChI=1S/C12H22Si/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h8-12H,4-7H2,1-3H3/t10-,11-,12?/m0/s1
InChIKeyCWLBOQWYXCPNSL-NDQFZYFBSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.07
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 [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane?
The IUPAC name of [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane (CID 135010183) is [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane.
What is the SMILES notation for [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane?
The canonical SMILES for [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane is C[Si](C)(C)C1C=C[C@@H]2CCCC[C@H]12.
What is the InChIKey of [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane?
The InChIKey is CWLBOQWYXCPNSL-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H22Si/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h8-12H,4-7H2,1-3H3/t10-,11-,12?/m0/s1.
What are the key properties of [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane?
[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane has a molecular weight of 194.39 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-trimethylsilane is sourced from PubChem (CID 135010183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).