[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane

C40H58Si — CID 171406225

IUPAC[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane
SMILESCC1CC2C(c3ccc(C(C)(C)C)cc3)CCCC2C1[Si](C)(C)C1CCC2C1CC1CCCC1C2c1ccccc1
InChIInChI=1S/C40H58Si/c1-26-24-35-31(27-18-20-30(21-19-27)40(2,3)4)15-11-17-34(35)39(26)41(5,6)37-23-22-33-36(37)25-29-14-10-16-32(29)38(33)28-12-8-7-9-13-28/h7-9,12-13,18-21,26,29,31-39H,10-11,14-17,22-25H2,1-6H3
InChIKeyAZINIYCGQSOPBL-UHFFFAOYSA-N
MW566.99 g/mol
LogP11.60
Rot. Bonds4

About [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane

[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane (PubChem CID 171406225) has the molecular formula C40H58Si and a molecular weight of 566.99 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane
PubChem CID171406225
Molecular FormulaC40H58Si
Molecular Weight566.99 g/mol
Exact Mass566.43
IUPAC Name[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane
SMILESCC1CC2C(c3ccc(C(C)(C)C)cc3)CCCC2C1[Si](C)(C)C1CCC2C1CC1CCCC1C2c1ccccc1
InChIInChI=1S/C40H58Si/c1-26-24-35-31(27-18-20-30(21-19-27)40(2,3)4)15-11-17-34(35)39(26)41(5,6)37-23-22-33-36(37)25-29-14-10-16-32(29)38(33)28-12-8-7-9-13-28/h7-9,12-13,18-21,26,29,31-39H,10-11,14-17,22-25H2,1-6H3
InChIKeyAZINIYCGQSOPBL-UHFFFAOYSA-N
XLogP11.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.99
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane with MolForge

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Related Compounds

dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91172293
[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
CID 89311878
methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane
CID 123669309
dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 165155308
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
CID 162298378
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
CID 162292584
[4-(4-tert-butylphenyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-dimethyl-[5-methyl-2,3-bis(2-methyl-1-benzothiophen-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
CID 91089712
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
CID 91093836
dimethyl-(2-methyl-4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 162298218
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(1,2-dimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b][1]benzofuran-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162298375
[2-cyclopropyl-4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 123192416

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane?
The IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane (CID 171406225) is [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane?
The canonical SMILES for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane is CC1CC2C(c3ccc(C(C)(C)C)cc3)CCCC2C1[Si](C)(C)C1CCC2C1CC1CCCC1C2c1ccccc1.
What is the InChIKey of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane?
The InChIKey is AZINIYCGQSOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58Si/c1-26-24-35-31(27-18-20-30(21-19-27)40(2,3)4)15-11-17-34(35)39(26)41(5,6)37-23-22-33-36(37)25-29-14-10-16-32(29)38(33)28-12-8-7-9-13-28/h7-9,12-13,18-21,26,29,31-39H,10-11,14-17,22-25H2,1-6H3.
What are the key properties of [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane?
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane has a molecular weight of 566.99 g/mol, XLogP of 11.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane is sourced from PubChem (CID 171406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).