chloro-tris(2,4-dimethoxy-5-methylphenyl)silane

C27H33ClO6Si — CID 88962953

IUPACchloro-tris(2,4-dimethoxy-5-methylphenyl)silane
SMILESCOc1cc(OC)c([Si](Cl)(c2cc(C)c(OC)cc2OC)c2cc(C)c(OC)cc2OC)cc1C
InChIInChI=1S/C27H33ClO6Si/c1-16-10-25(22(32-7)13-19(16)29-4)35(28,26-11-17(2)20(30-5)14-23(26)33-8)27-12-18(3)21(31-6)15-24(27)34-9/h10-15H,1-9H3
InChIKeyRJGNHGKBLNMOAV-UHFFFAOYSA-N
MW517.09 g/mol
LogP3.87
Rot. Bonds9

About chloro-tris(2,4-dimethoxy-5-methylphenyl)silane

chloro-tris(2,4-dimethoxy-5-methylphenyl)silane (PubChem CID 88962953) has the molecular formula C27H33ClO6Si and a molecular weight of 517.09 g/mol. Its IUPAC name is chloro-tris(2,4-dimethoxy-5-methylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,4-dimethoxy-5-methylphenyl)silane
PubChem CID88962953
Molecular FormulaC27H33ClO6Si
Molecular Weight517.09 g/mol
Exact Mass516.17
IUPAC Namechloro-tris(2,4-dimethoxy-5-methylphenyl)silane
SMILESCOc1cc(OC)c([Si](Cl)(c2cc(C)c(OC)cc2OC)c2cc(C)c(OC)cc2OC)cc1C
InChIInChI=1S/C27H33ClO6Si/c1-16-10-25(22(32-7)13-19(16)29-4)35(28,26-11-17(2)20(30-5)14-23(26)33-8)27-12-18(3)21(31-6)15-24(27)34-9/h10-15H,1-9H3
InChIKeyRJGNHGKBLNMOAV-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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Related Compounds

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
chloro-tris(3,5-dimethoxy-2-methylphenyl)silane
CID 88962952
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
chloro-tris(3,4-dimethoxy-2-methylphenyl)silane
CID 88963058
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950

Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,4-dimethoxy-5-methylphenyl)silane?
The IUPAC name of chloro-tris(2,4-dimethoxy-5-methylphenyl)silane (CID 88962953) is chloro-tris(2,4-dimethoxy-5-methylphenyl)silane.
What is the SMILES notation for chloro-tris(2,4-dimethoxy-5-methylphenyl)silane?
The canonical SMILES for chloro-tris(2,4-dimethoxy-5-methylphenyl)silane is COc1cc(OC)c([Si](Cl)(c2cc(C)c(OC)cc2OC)c2cc(C)c(OC)cc2OC)cc1C.
What is the InChIKey of chloro-tris(2,4-dimethoxy-5-methylphenyl)silane?
The InChIKey is RJGNHGKBLNMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClO6Si/c1-16-10-25(22(32-7)13-19(16)29-4)35(28,26-11-17(2)20(30-5)14-23(26)33-8)27-12-18(3)21(31-6)15-24(27)34-9/h10-15H,1-9H3.
What are the key properties of chloro-tris(2,4-dimethoxy-5-methylphenyl)silane?
chloro-tris(2,4-dimethoxy-5-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-5-methylphenyl)silane is sourced from PubChem (CID 88962953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).