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

C36H58F6Si — CID 58897774

IUPACdimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-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/C36H58F6Si/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/h21-34H,5-20H2,1-4H3
InChIKeySSRAJIIXELHILF-UHFFFAOYSA-N
MW632.93 g/mol
LogP12.32
Rot. Bonds4

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

dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 58897774) has the molecular formula C36H58F6Si and a molecular weight of 632.93 g/mol. Its IUPAC name is dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
PubChem CID58897774
Molecular FormulaC36H58F6Si
Molecular Weight632.93 g/mol
Exact Mass632.42
IUPAC Namedimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-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/C36H58F6Si/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/h21-34H,5-20H2,1-4H3
InChIKeySSRAJIIXELHILF-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.93
LogP ≤ 512.32
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)cyclohexyl]-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)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 58897774) is dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-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)cyclohexyl]-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)cyclohexyl]-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)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
The InChIKey is SSRAJIIXELHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58F6Si/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/h21-34H,5-20H2,1-4H3.
What are the key properties of dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?
dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 632.93 g/mol, XLogP of 12.32, 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)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 58897774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).