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

C40H60F12Si — CID 58897776

IUPACbis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1CCC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CCC(C)C3C2CC(C(F)(F)F)CC(C(F)(F)F)C2)C1C1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C40H60F12Si/c1-19-7-9-29-31(33(19)23-13-25(37(41,42)43)17-26(14-23)38(44,45)46)11-21(3)35(29)53(5,6)36-22(4)12-32-30(36)10-8-20(2)34(32)24-15-27(39(47,48)49)18-28(16-24)40(50,51)52/h19-36H,7-18H2,1-6H3
InChIKeyFAHOEHGEJIJFRN-UHFFFAOYSA-N
MW796.98 g/mol
LogP14.39
Rot. Bonds4

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

bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 58897776) has the molecular formula C40H60F12Si and a molecular weight of 796.98 g/mol. Its IUPAC name is bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID58897776
Molecular FormulaC40H60F12Si
Molecular Weight796.98 g/mol
Exact Mass796.43
IUPAC Namebis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1CCC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CCC(C)C3C2CC(C(F)(F)F)CC(C(F)(F)F)C2)C1C1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C40H60F12Si/c1-19-7-9-29-31(33(19)23-13-25(37(41,42)43)17-26(14-23)38(44,45)46)11-21(3)35(29)53(5,6)36-22(4)12-32-30(36)10-8-20(2)34(32)24-15-27(39(47,48)49)18-28(16-24)40(50,51)52/h19-36H,7-18H2,1-6H3
InChIKeyFAHOEHGEJIJFRN-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.98
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 58897776) is bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CC1CCC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CCC(C)C3C2CC(C(F)(F)F)CC(C(F)(F)F)C2)C1C1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is FAHOEHGEJIJFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60F12Si/c1-19-7-9-29-31(33(19)23-13-25(37(41,42)43)17-26(14-23)38(44,45)46)11-21(3)35(29)53(5,6)36-22(4)12-32-30(36)10-8-20(2)34(32)24-15-27(39(47,48)49)18-28(16-24)40(50,51)52/h19-36H,7-18H2,1-6H3.
What are the key properties of bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 796.98 g/mol, XLogP of 14.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[3,5-bis(trifluoromethyl)cyclohexyl]-2,5-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 58897776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).