dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane

C31H64Si — CID 54036137

IUPACdimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane
SMILESCC.CC.CC(C)(C)C.CC1CC2CCCCC2C1[Si](C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C22H40Si.C5H12.2C2H6/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4;2*1-2/h15-22H,5-14H2,1-4H3;1-4H3;2*1-2H3
InChIKeyLVPFKCDFGDMOCC-UHFFFAOYSA-N
MW464.94 g/mol
LogP11.23
Rot. Bonds2

About dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane

dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane (PubChem CID 54036137) has the molecular formula C31H64Si and a molecular weight of 464.94 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane
PubChem CID54036137
Molecular FormulaC31H64Si
Molecular Weight464.94 g/mol
Exact Mass464.48
IUPAC Namedimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane
SMILESCC.CC.CC(C)(C)C.CC1CC2CCCCC2C1[Si](C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C22H40Si.C5H12.2C2H6/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4;2*1-2/h15-22H,5-14H2,1-4H3;1-4H3;2*1-2H3
InChIKeyLVPFKCDFGDMOCC-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.94
LogP ≤ 511.23
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 dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane?
The IUPAC name of dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane (CID 54036137) is dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane.
What is the SMILES notation for dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane?
The canonical SMILES for dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane is CC.CC.CC(C)(C)C.CC1CC2CCCCC2C1[Si](C)(C)C1C(C)CC2CCCCC21.
What is the InChIKey of dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane?
The InChIKey is LVPFKCDFGDMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40Si.C5H12.2C2H6/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22;1-5(2,3)4;2*1-2/h15-22H,5-14H2,1-4H3;1-4H3;2*1-2H3.
What are the key properties of dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane?
dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane has a molecular weight of 464.94 g/mol, XLogP of 11.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;2,2-dimethylpropane;ethane is sourced from PubChem (CID 54036137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).