chloro-tris(2,4-dimethoxy-3-methylphenyl)silane

C27H33ClO6Si — CID 88962777

IUPACchloro-tris(2,4-dimethoxy-3-methylphenyl)silane
SMILESCOc1ccc([Si](Cl)(c2ccc(OC)c(C)c2OC)c2ccc(OC)c(C)c2OC)c(OC)c1C
InChIInChI=1S/C27H33ClO6Si/c1-16-19(29-4)10-13-22(25(16)32-7)35(28,23-14-11-20(30-5)17(2)26(23)33-8)24-15-12-21(31-6)18(3)27(24)34-9/h10-15H,1-9H3
InChIKeyCMPHPOCUOAWKLW-UHFFFAOYSA-N
MW517.09 g/mol
LogP3.87
Rot. Bonds9

About chloro-tris(2,4-dimethoxy-3-methylphenyl)silane

chloro-tris(2,4-dimethoxy-3-methylphenyl)silane (PubChem CID 88962777) has the molecular formula C27H33ClO6Si and a molecular weight of 517.09 g/mol. Its IUPAC name is chloro-tris(2,4-dimethoxy-3-methylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,4-dimethoxy-3-methylphenyl)silane
PubChem CID88962777
Molecular FormulaC27H33ClO6Si
Molecular Weight517.09 g/mol
Exact Mass516.17
IUPAC Namechloro-tris(2,4-dimethoxy-3-methylphenyl)silane
SMILESCOc1ccc([Si](Cl)(c2ccc(OC)c(C)c2OC)c2ccc(OC)c(C)c2OC)c(OC)c1C
InChIInChI=1S/C27H33ClO6Si/c1-16-19(29-4)10-13-22(25(16)32-7)35(28,23-14-11-20(30-5)17(2)26(23)33-8)24-15-12-21(31-6)18(3)27(24)34-9/h10-15H,1-9H3
InChIKeyCMPHPOCUOAWKLW-UHFFFAOYSA-N
XLogP3.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(2,4-dimethoxy-3-methylphenyl)silane?
The IUPAC name of chloro-tris(2,4-dimethoxy-3-methylphenyl)silane (CID 88962777) is chloro-tris(2,4-dimethoxy-3-methylphenyl)silane.
What is the SMILES notation for chloro-tris(2,4-dimethoxy-3-methylphenyl)silane?
The canonical SMILES for chloro-tris(2,4-dimethoxy-3-methylphenyl)silane is COc1ccc([Si](Cl)(c2ccc(OC)c(C)c2OC)c2ccc(OC)c(C)c2OC)c(OC)c1C.
What is the InChIKey of chloro-tris(2,4-dimethoxy-3-methylphenyl)silane?
The InChIKey is CMPHPOCUOAWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClO6Si/c1-16-19(29-4)10-13-22(25(16)32-7)35(28,23-14-11-20(30-5)17(2)26(23)33-8)24-15-12-21(31-6)18(3)27(24)34-9/h10-15H,1-9H3.
What are the key properties of chloro-tris(2,4-dimethoxy-3-methylphenyl)silane?
chloro-tris(2,4-dimethoxy-3-methylphenyl)silane has a molecular weight of 517.09 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,4-dimethoxy-3-methylphenyl)silane is sourced from PubChem (CID 88962777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).