bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

C44H60Si — CID 59227036

IUPACbis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCCC1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(CC)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21
InChIInChI=1S/C44H60Si/c1-11-29-27-39-35(31-19-23-33(24-20-31)43(3,4)5)15-13-17-37(39)41(29)45(9,10)42-30(12-2)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(6,7)8/h13-26,29-30,37-42H,11-12,27-28H2,1-10H3
InChIKeyYKWQEESYMSKOBG-UHFFFAOYSA-N
MW617.05 g/mol
LogP12.66
Rot. Bonds6

About bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 59227036) has the molecular formula C44H60Si and a molecular weight of 617.05 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID59227036
Molecular FormulaC44H60Si
Molecular Weight617.05 g/mol
Exact Mass616.45
IUPAC Namebis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCCC1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(CC)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21
InChIInChI=1S/C44H60Si/c1-11-29-27-39-35(31-19-23-33(24-20-31)43(3,4)5)15-13-17-37(39)41(29)45(9,10)42-30(12-2)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(6,7)8/h13-26,29-30,37-42H,11-12,27-28H2,1-10H3
InChIKeyYKWQEESYMSKOBG-UHFFFAOYSA-N
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.05
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (CID 59227036) is bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is CCC1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(CC)CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC21.
What is the InChIKey of bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is YKWQEESYMSKOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60Si/c1-11-29-27-39-35(31-19-23-33(24-20-31)43(3,4)5)15-13-17-37(39)41(29)45(9,10)42-30(12-2)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(6,7)8/h13-26,29-30,37-42H,11-12,27-28H2,1-10H3.
What are the key properties of bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 617.05 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 59227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).