bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane

C25H44Si — CID 20576732

IUPACbis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane
SMILESC[Si](C1CCCCC1)(C1CCC2CCCCC21)C1CCC2CCCCC21
InChIInChI=1S/C25H44Si/c1-26(21-11-3-2-4-12-21,24-17-15-19-9-5-7-13-22(19)24)25-18-16-20-10-6-8-14-23(20)25/h19-25H,2-18H2,1H3
InChIKeyKKJSWWYPUYTYSP-UHFFFAOYSA-N
MW372.71 g/mol
LogP8.34
Rot. Bonds3

About bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane (PubChem CID 20576732) has the molecular formula C25H44Si and a molecular weight of 372.71 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane.

Molecular Properties

Compound Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane
PubChem CID20576732
Molecular FormulaC25H44Si
Molecular Weight372.71 g/mol
Exact Mass372.32
IUPAC Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane
SMILESC[Si](C1CCCCC1)(C1CCC2CCCCC21)C1CCC2CCCCC21
InChIInChI=1S/C25H44Si/c1-26(21-11-3-2-4-12-21,24-17-15-19-9-5-7-13-22(19)24)25-18-16-20-10-6-8-14-23(20)25/h19-25H,2-18H2,1H3
InChIKeyKKJSWWYPUYTYSP-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 58.34
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 bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane?
The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane (CID 20576732) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane.
What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane?
The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane is C[Si](C1CCCCC1)(C1CCC2CCCCC21)C1CCC2CCCCC21.
What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane?
The InChIKey is KKJSWWYPUYTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44Si/c1-26(21-11-3-2-4-12-21,24-17-15-19-9-5-7-13-22(19)24)25-18-16-20-10-6-8-14-23(20)25/h19-25H,2-18H2,1H3.
What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane?
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane has a molecular weight of 372.71 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-cyclohexyl-methylsilane is sourced from PubChem (CID 20576732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).