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

C22H40Si — CID 54036138

IUPACdimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1CC2CCCCC2C1[Si](C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C22H40Si/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/h15-22H,5-14H2,1-4H3
InChIKeyKPJHGXQOILNYAJ-UHFFFAOYSA-N
MW332.65 g/mol
LogP7.13
Rot. Bonds2

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

dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (PubChem CID 54036138) has the molecular formula C22H40Si and a molecular weight of 332.65 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
PubChem CID54036138
Molecular FormulaC22H40Si
Molecular Weight332.65 g/mol
Exact Mass332.29
IUPAC Namedimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1CC2CCCCC2C1[Si](C)(C)C1C(C)CC2CCCCC21
InChIInChI=1S/C22H40Si/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/h15-22H,5-14H2,1-4H3
InChIKeyKPJHGXQOILNYAJ-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.65
LogP ≤ 57.13
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?
The IUPAC name of dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (CID 54036138) is dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is 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?
The InChIKey is KPJHGXQOILNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40Si/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/h15-22H,5-14H2,1-4H3.
What are the key properties of dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
dimethyl-bis(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane has a molecular weight of 332.65 g/mol, XLogP of 7.13, 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 is sourced from PubChem (CID 54036138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).