[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

C43H54OSi — CID 159336525

IUPAC[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
SMILESCCc1ccc(C2=CC=CC3C2C=C(C(C)C)C3[Si](C)(C)C2C(C)=CC3C(c4ccc(COC(C)(C)C)cc4)=CC=CC32)cc1
InChIInChI=1S/C43H54OSi/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/h11-26,28,36-37,39-42H,10,27H2,1-9H3
InChIKeyZNYFXCYRISTXES-UHFFFAOYSA-N
MW614.99 g/mol
LogP11.64
Rot. Bonds8

About [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

[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 (PubChem CID 159336525) has the molecular formula C43H54OSi and a molecular weight of 614.99 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159336525
Molecular FormulaC43H54OSi
Molecular Weight614.99 g/mol
Exact Mass614.39
IUPAC Name[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
SMILESCCc1ccc(C2=CC=CC3C2C=C(C(C)C)C3[Si](C)(C)C2C(C)=CC3C(c4ccc(COC(C)(C)C)cc4)=CC=CC32)cc1
InChIInChI=1S/C43H54OSi/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/h11-26,28,36-37,39-42H,10,27H2,1-9H3
InChIKeyZNYFXCYRISTXES-UHFFFAOYSA-N
XLogP11.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.99
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[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
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-ethylbenzenecarboperoxoate
CID 173268003
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCc1ccc(C2=CC=CC3C2C=C(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-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?
The InChIKey is ZNYFXCYRISTXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54OSi/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/h11-26,28,36-37,39-42H,10,27H2,1-9H3.
What are the key properties of [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?
[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 has a molecular weight of 614.99 g/mol, XLogP of 11.64, 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-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 is sourced from PubChem (CID 159336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).