bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C48H76O2Si — CID 162294698

IUPACbis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCOC1C(c2cc(C)cc(C)c2)C2CC(C)C([Si](C)(C)C3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3cc(C)cc(C)c3)C2CC1C(C)(C)C
InChIInChI=1S/C48H76O2Si/c1-27-17-28(2)20-33(19-27)41-35-23-31(5)45(37(35)25-39(43(41)49-13)47(7,8)9)51(15,16)46-32(6)24-36-38(46)26-40(48(10,11)12)44(50-14)42(36)34-21-29(3)18-30(4)22-34/h17-22,31-32,35-46H,23-26H2,1-16H3
InChIKeyIMCPQWMYMHTSFL-UHFFFAOYSA-N
MW713.22 g/mol
LogP12.94
Rot. Bonds6

About bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 162294698) has the molecular formula C48H76O2Si and a molecular weight of 713.22 g/mol. Its IUPAC name is bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID162294698
Molecular FormulaC48H76O2Si
Molecular Weight713.22 g/mol
Exact Mass712.56
IUPAC Namebis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESCOC1C(c2cc(C)cc(C)c2)C2CC(C)C([Si](C)(C)C3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3cc(C)cc(C)c3)C2CC1C(C)(C)C
InChIInChI=1S/C48H76O2Si/c1-27-17-28(2)20-33(19-27)41-35-23-31(5)45(37(35)25-39(43(41)49-13)47(7,8)9)51(15,16)46-32(6)24-36-38(46)26-40(48(10,11)12)44(50-14)42(36)34-21-29(3)18-30(4)22-34/h17-22,31-32,35-46H,23-26H2,1-16H3
InChIKeyIMCPQWMYMHTSFL-UHFFFAOYSA-N
XLogP12.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.22
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 162294698) is bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is COC1C(c2cc(C)cc(C)c2)C2CC(C)C([Si](C)(C)C3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3cc(C)cc(C)c3)C2CC1C(C)(C)C.
What is the InChIKey of bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is IMCPQWMYMHTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H76O2Si/c1-27-17-28(2)20-33(19-27)41-35-23-31(5)45(37(35)25-39(43(41)49-13)47(7,8)9)51(15,16)46-32(6)24-36-38(46)26-40(48(10,11)12)44(50-14)42(36)34-21-29(3)18-30(4)22-34/h17-22,31-32,35-46H,23-26H2,1-16H3.
What are the key properties of bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 713.22 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 162294698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).