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

C36H64Si — CID 140577419

IUPACbis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCCC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(C)C1C(CC)CC2C(C3CCCCC3)CCCC21
InChIInChI=1S/C36H64Si/c1-5-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(3,4)36-26(6-2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h25-36H,5-24H2,1-4H3
InChIKeyVHCWRKGUYPUYQV-UHFFFAOYSA-N
MW524.99 g/mol
LogP11.52
Rot. Bonds6

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

bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 140577419) has the molecular formula C36H64Si and a molecular weight of 524.99 g/mol. Its IUPAC name is bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID140577419
Molecular FormulaC36H64Si
Molecular Weight524.99 g/mol
Exact Mass524.48
IUPAC Namebis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCCC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(C)C1C(CC)CC2C(C3CCCCC3)CCCC21
InChIInChI=1S/C36H64Si/c1-5-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(3,4)36-26(6-2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h25-36H,5-24H2,1-4H3
InChIKeyVHCWRKGUYPUYQV-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.99
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(3-cyclopentylpropyl)-methylsilane
CID 166055655
[3-(4-tert-butylcyclohexyl)-5-ethyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 58746988
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-[5-[1-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]pentyl]-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 166038573
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140664993
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950

Frequently Asked Questions

What is the IUPAC name of bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 140577419) is bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CCC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(C)C1C(CC)CC2C(C3CCCCC3)CCCC21.
What is the InChIKey of bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is VHCWRKGUYPUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64Si/c1-5-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(3,4)36-26(6-2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h25-36H,5-24H2,1-4H3.
What are the key properties of bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 524.99 g/mol, XLogP of 11.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 140577419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).