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

C36H46F6Si — CID 91038915

IUPACdimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCC1CC2C(c3ccccc3C(F)(F)F)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3C(F)(F)F)CCCC21
InChIInChI=1S/C36H46F6Si/c1-21-19-29-23(25-11-5-7-17-31(25)35(37,38)39)13-9-15-27(29)33(21)43(3,4)34-22(2)20-30-24(14-10-16-28(30)34)26-12-6-8-18-32(26)36(40,41)42/h5-8,11-12,17-18,21-24,27-30,33-34H,9-10,13-16,19-20H2,1-4H3
InChIKeyRZYBCEAJUQRABC-UHFFFAOYSA-N
MW620.84 g/mol
LogP11.95
Rot. Bonds4

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

dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 91038915) has the molecular formula C36H46F6Si and a molecular weight of 620.84 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
PubChem CID91038915
Molecular FormulaC36H46F6Si
Molecular Weight620.84 g/mol
Exact Mass620.33
IUPAC Namedimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
SMILESCC1CC2C(c3ccccc3C(F)(F)F)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3C(F)(F)F)CCCC21
InChIInChI=1S/C36H46F6Si/c1-21-19-29-23(25-11-5-7-17-31(25)35(37,38)39)13-9-15-27(29)33(21)43(3,4)34-22(2)20-30-24(14-10-16-28(30)34)26-12-6-8-18-32(26)36(40,41)42/h5-8,11-12,17-18,21-24,27-30,33-34H,9-10,13-16,19-20H2,1-4H3
InChIKeyRZYBCEAJUQRABC-UHFFFAOYSA-N
XLogP11.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 511.95
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-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 91038915) is dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CC1CC2C(c3ccccc3C(F)(F)F)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3C(F)(F)F)CCCC21.
What is the InChIKey of dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The InChIKey is RZYBCEAJUQRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46F6Si/c1-21-19-29-23(25-11-5-7-17-31(25)35(37,38)39)13-9-15-27(29)33(21)43(3,4)34-22(2)20-30-24(14-10-16-28(30)34)26-12-6-8-18-32(26)36(40,41)42/h5-8,11-12,17-18,21-24,27-30,33-34H,9-10,13-16,19-20H2,1-4H3.
What are the key properties of dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 620.84 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 91038915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).