chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane

C33H51ClSi4 — CID 88963048

IUPACchloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c([Si](C)(C)C)cc2C)c2cc(C)c([Si](C)(C)C)cc2C)c(C)cc1[Si](C)(C)C
InChIInChI=1S/C33H51ClSi4/c1-22-19-31(25(4)16-28(22)35(7,8)9)38(34,32-20-23(2)29(17-26(32)5)36(10,11)12)33-21-24(3)30(18-27(33)6)37(13,14)15/h16-21H,1-15H3
InChIKeyLNHBSHABKGAHPY-UHFFFAOYSA-N
MW595.57 g/mol
LogP6.38
Rot. Bonds6

About chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane

chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane (PubChem CID 88963048) has the molecular formula C33H51ClSi4 and a molecular weight of 595.57 g/mol. Its IUPAC name is chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane
PubChem CID88963048
Molecular FormulaC33H51ClSi4
Molecular Weight595.57 g/mol
Exact Mass594.28
IUPAC Namechloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane
SMILESCc1cc([Si](Cl)(c2cc(C)c([Si](C)(C)C)cc2C)c2cc(C)c([Si](C)(C)C)cc2C)c(C)cc1[Si](C)(C)C
InChIInChI=1S/C33H51ClSi4/c1-22-19-31(25(4)16-28(22)35(7,8)9)38(34,32-20-23(2)29(17-26(32)5)36(10,11)12)33-21-24(3)30(18-27(33)6)37(13,14)15/h16-21H,1-15H3
InChIKeyLNHBSHABKGAHPY-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.57
LogP ≤ 56.38
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane?
The IUPAC name of chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane (CID 88963048) is chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane.
What is the SMILES notation for chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane?
The canonical SMILES for chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane is Cc1cc([Si](Cl)(c2cc(C)c([Si](C)(C)C)cc2C)c2cc(C)c([Si](C)(C)C)cc2C)c(C)cc1[Si](C)(C)C.
What is the InChIKey of chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane?
The InChIKey is LNHBSHABKGAHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51ClSi4/c1-22-19-31(25(4)16-28(22)35(7,8)9)38(34,32-20-23(2)29(17-26(32)5)36(10,11)12)33-21-24(3)30(18-27(33)6)37(13,14)15/h16-21H,1-15H3.
What are the key properties of chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane?
chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane has a molecular weight of 595.57 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,5-dimethyl-4-trimethylsilylphenyl)silane is sourced from PubChem (CID 88963048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).