[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

C40H58SSi — CID 91093836

IUPAC[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
SMILESCC1=C(c2ccccc2C)C2CC(C(C)C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1
InChIInChI=1S/C40H58SSi/c1-24(2)33-23-35-36(30-15-12-11-14-25(30)3)27(5)41-37(35)39(33)42(9,10)38-26(4)22-34-31(16-13-17-32(34)38)28-18-20-29(21-19-28)40(6,7)8/h11-12,14-15,18-21,24,26,31-35,37-39H,13,16-17,22-23H2,1-10H3
InChIKeyIFFJTXZWEDRDPS-UHFFFAOYSA-N
MW599.06 g/mol
LogP12.12
Rot. Bonds5

About [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

[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 (PubChem CID 91093836) has the molecular formula C40H58SSi and a molecular weight of 599.06 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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
PubChem CID91093836
Molecular FormulaC40H58SSi
Molecular Weight599.06 g/mol
Exact Mass598.40
IUPAC Name[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
SMILESCC1=C(c2ccccc2C)C2CC(C(C)C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1
InChIInChI=1S/C40H58SSi/c1-24(2)33-23-35-36(30-15-12-11-14-25(30)3)27(5)41-37(35)39(33)42(9,10)38-26(4)22-34-31(16-13-17-32(34)38)28-18-20-29(21-19-28)40(6,7)8/h11-12,14-15,18-21,24,26,31-35,37-39H,13,16-17,22-23H2,1-10H3
InChIKeyIFFJTXZWEDRDPS-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.06
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane with MolForge

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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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane (CID 91093836) is [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.
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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane is CC1=C(c2ccccc2C)C2CC(C(C)C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1.
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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane?
The InChIKey is IFFJTXZWEDRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58SSi/c1-24(2)33-23-35-36(30-15-12-11-14-25(30)3)27(5)41-37(35)39(33)42(9,10)38-26(4)22-34-31(16-13-17-32(34)38)28-18-20-29(21-19-28)40(6,7)8/h11-12,14-15,18-21,24,26,31-35,37-39H,13,16-17,22-23H2,1-10H3.
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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane?
[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 has a molecular weight of 599.06 g/mol, XLogP of 12.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 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-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane is sourced from PubChem (CID 91093836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).