[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane

C43H58OSi — CID 162289724

IUPAC[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
SMILESCCc1ccc(C2=CC=CC3C2CC(C(C)C)C3[Si](C)(C)C2C(C)CC3C(c4ccc(COC(C)(C)C)cc4)=CC=CC32)cc1
InChIInChI=1S/C43H58OSi/c1-10-30-17-21-32(22-18-30)35-14-12-16-37-40(35)26-38(28(2)3)42(37)45(8,9)41-29(4)25-39-34(13-11-15-36(39)41)33-23-19-31(20-24-33)27-44-43(5,6)7/h11-24,28-29,36-42H,10,25-27H2,1-9H3
InChIKeyJIQVOXSNBDWMKV-UHFFFAOYSA-N
MW619.02 g/mol
LogP11.80
Rot. Bonds8

About [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane

[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane (PubChem CID 162289724) has the molecular formula C43H58OSi and a molecular weight of 619.02 g/mol. Its IUPAC name is [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Name[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
PubChem CID162289724
Molecular FormulaC43H58OSi
Molecular Weight619.02 g/mol
Exact Mass618.43
IUPAC Name[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
SMILESCCc1ccc(C2=CC=CC3C2CC(C(C)C)C3[Si](C)(C)C2C(C)CC3C(c4ccc(COC(C)(C)C)cc4)=CC=CC32)cc1
InChIInChI=1S/C43H58OSi/c1-10-30-17-21-32(22-18-30)35-14-12-16-37-40(35)26-38(28(2)3)42(37)45(8,9)41-29(4)25-39-34(13-11-15-36(39)41)33-23-19-31(20-24-33)27-44-43(5,6)7/h11-24,28-29,36-42H,10,25-27H2,1-9H3
InChIKeyJIQVOXSNBDWMKV-UHFFFAOYSA-N
XLogP11.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.02
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
CID 162293972
[4-(4-ethylphenyl)-2-propan-2-yl-3a,7a-dihydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-3a,7a-dihydro-1H-inden-1-yl]silane
CID 159336525
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
bis[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679013
bis[4-(4-tert-butylphenyl)-2-(cyclohexylmethyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane;carbanide;dichlorozirconium(2+)
CID 162291574
bis[2-cyclopropyl-4-(3,5-ditert-butyl-4-methoxyphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679016
bis[4-(3,5-ditert-butylphenyl)-6-ethyl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 162289442
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
CID 58634317
1-ethyl-4-[2-[4-(2-propan-2-ylcyclopropyl)phenyl]butan-2-yl]benzene
CID 163766183
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634095

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The IUPAC name of [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane (CID 162289724) is [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane.
What is the SMILES notation for [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The canonical SMILES for [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane is CCc1ccc(C2=CC=CC3C2CC(C(C)C)C3[Si](C)(C)C2C(C)CC3C(c4ccc(COC(C)(C)C)cc4)=CC=CC32)cc1.
What is the InChIKey of [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The InChIKey is JIQVOXSNBDWMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58OSi/c1-10-30-17-21-32(22-18-30)35-14-12-16-37-40(35)26-38(28(2)3)42(37)45(8,9)41-29(4)25-39-34(13-11-15-36(39)41)33-23-19-31(20-24-33)27-44-43(5,6)7/h11-24,28-29,36-42H,10,25-27H2,1-9H3.
What are the key properties of [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane has a molecular weight of 619.02 g/mol, XLogP of 11.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 162289724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).