bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane

C36H54Cl2Si3 — CID 100919461

IUPACbis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane
SMILESCC(C)C(C)(C)[Si](c1ccccc1)([Si@](Cl)(c1ccccc1)C(C)(C)C(C)C)[Si@](Cl)(c1ccccc1)C(C)(C)C(C)C
InChIInChI=1S/C36H54Cl2Si3/c1-28(2)34(7,8)39(37,31-22-16-13-17-23-31)41(36(11,12)30(5)6,33-26-20-15-21-27-33)40(38,35(9,10)29(3)4)32-24-18-14-19-25-32/h13-30H,1-12H3/t39-,40-/m1/s1
InChIKeyBQPCCUXDEORPRE-XRSDMRJBSA-N
MW641.99 g/mol
LogP9.99
Rot. Bonds11

About bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane

bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane (PubChem CID 100919461) has the molecular formula C36H54Cl2Si3 and a molecular weight of 641.99 g/mol. Its IUPAC name is bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane.

Molecular Properties

Compound Namebis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane
PubChem CID100919461
Molecular FormulaC36H54Cl2Si3
Molecular Weight641.99 g/mol
Exact Mass640.29
IUPAC Namebis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane
SMILESCC(C)C(C)(C)[Si](c1ccccc1)([Si@](Cl)(c1ccccc1)C(C)(C)C(C)C)[Si@](Cl)(c1ccccc1)C(C)(C)C(C)C
InChIInChI=1S/C36H54Cl2Si3/c1-28(2)34(7,8)39(37,31-22-16-13-17-23-31)41(36(11,12)30(5)6,33-26-20-15-21-27-33)40(38,35(9,10)29(3)4)32-24-18-14-19-25-32/h13-30H,1-12H3/t39-,40-/m1/s1
InChIKeyBQPCCUXDEORPRE-XRSDMRJBSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.99
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[chloro(diphenyl)silyl]propan-2-amine
CID 12536422
chloro-(2,3-dimethylbutan-2-yl)-ethyl-(2-phenylpropan-2-yl)silane
CID 155648111
N-(chloro-methyl-phenylsilyl)propan-2-amine
CID 142550256
[dichloro(phenyl)silyl]phosphane
CID 165358903
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane
CID 22404166
chloro-(chloro-methyl-phenylsilyl)oxy-methyl-phenylsilane
CID 101051464
dichloro(diphenyl)silane
CID 6627
chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
CID 54497975
chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane
CID 151743213
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793

Frequently Asked Questions

What is the IUPAC name of bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane?
The IUPAC name of bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane (CID 100919461) is bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane.
What is the SMILES notation for bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane?
The canonical SMILES for bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane is CC(C)C(C)(C)[Si](c1ccccc1)([Si@](Cl)(c1ccccc1)C(C)(C)C(C)C)[Si@](Cl)(c1ccccc1)C(C)(C)C(C)C.
What is the InChIKey of bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane?
The InChIKey is BQPCCUXDEORPRE-XRSDMRJBSA-N. The full InChI is InChI=1S/C36H54Cl2Si3/c1-28(2)34(7,8)39(37,31-22-16-13-17-23-31)41(36(11,12)30(5)6,33-26-20-15-21-27-33)40(38,35(9,10)29(3)4)32-24-18-14-19-25-32/h13-30H,1-12H3/t39-,40-/m1/s1.
What are the key properties of bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane?
bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane has a molecular weight of 641.99 g/mol, XLogP of 9.99, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[chloro-(2,3-dimethylbutan-2-yl)-phenylsilyl]-(2,3-dimethylbutan-2-yl)-phenylsilane is sourced from PubChem (CID 100919461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).