bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane

C20H36O2Si — CID 91178780

IUPACbis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane
SMILESC[Si](C)(OC1CCC2CCCCC21)OC1CCC2CCCCC21
InChIInChI=1S/C20H36O2Si/c1-23(2,21-19-13-11-15-7-3-5-9-17(15)19)22-20-14-12-16-8-4-6-10-18(16)20/h15-20H,3-14H2,1-2H3
InChIKeyHPFLHNFNEYDRHR-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.66
Rot. Bonds4

About bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane (PubChem CID 91178780) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane.

Molecular Properties

Compound Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane
PubChem CID91178780
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane
SMILESC[Si](C)(OC1CCC2CCCCC21)OC1CCC2CCCCC21
InChIInChI=1S/C20H36O2Si/c1-23(2,21-19-13-11-15-7-3-5-9-17(15)19)22-20-14-12-16-8-4-6-10-18(16)20/h15-20H,3-14H2,1-2H3
InChIKeyHPFLHNFNEYDRHR-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-yloxy)-dimethylsilane?
The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane (CID 91178780) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane.
What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane?
The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane is C[Si](C)(OC1CCC2CCCCC21)OC1CCC2CCCCC21.
What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane?
The InChIKey is HPFLHNFNEYDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-23(2,21-19-13-11-15-7-3-5-9-17(15)19)22-20-14-12-16-8-4-6-10-18(16)20/h15-20H,3-14H2,1-2H3.
What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane?
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy)-dimethylsilane has a molecular weight of 336.59 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 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-yloxy)-dimethylsilane is sourced from PubChem (CID 91178780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).