chloro-tris(2,4,6-trimethoxyphenyl)silane

C27H33ClO9Si — CID 88962916

IUPACchloro-tris(2,4,6-trimethoxyphenyl)silane
SMILESCOc1cc(OC)c([Si](Cl)(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C27H33ClO9Si/c1-29-16-10-19(32-4)25(20(11-16)33-5)38(28,26-21(34-6)12-17(30-2)13-22(26)35-7)27-23(36-8)14-18(31-3)15-24(27)37-9/h10-15H,1-9H3
InChIKeyUBROWRRQXPGYIO-UHFFFAOYSA-N
MW565.09 g/mol
LogP2.97
Rot. Bonds12

About chloro-tris(2,4,6-trimethoxyphenyl)silane

chloro-tris(2,4,6-trimethoxyphenyl)silane (PubChem CID 88962916) has the molecular formula C27H33ClO9Si and a molecular weight of 565.09 g/mol. Its IUPAC name is chloro-tris(2,4,6-trimethoxyphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,4,6-trimethoxyphenyl)silane
PubChem CID88962916
Molecular FormulaC27H33ClO9Si
Molecular Weight565.09 g/mol
Exact Mass564.16
IUPAC Namechloro-tris(2,4,6-trimethoxyphenyl)silane
SMILESCOc1cc(OC)c([Si](Cl)(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C27H33ClO9Si/c1-29-16-10-19(32-4)25(20(11-16)33-5)38(28,26-21(34-6)12-17(30-2)13-22(26)35-7)27-23(36-8)14-18(31-3)15-24(27)37-9/h10-15H,1-9H3
InChIKeyUBROWRRQXPGYIO-UHFFFAOYSA-N
XLogP2.97
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

chloro-tris(3,5-dimethoxy-2-methylphenyl)silane
CID 88962952
chloro-(2,4,6-trimethoxyphenyl)phosphane
CID 151134110
1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
CID 4255842
1,3,6,8-tetramethoxyacridine
CID 175793272
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
CID 101022784
CID 101022784

Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,4,6-trimethoxyphenyl)silane?
The IUPAC name of chloro-tris(2,4,6-trimethoxyphenyl)silane (CID 88962916) is chloro-tris(2,4,6-trimethoxyphenyl)silane.
What is the SMILES notation for chloro-tris(2,4,6-trimethoxyphenyl)silane?
The canonical SMILES for chloro-tris(2,4,6-trimethoxyphenyl)silane is COc1cc(OC)c([Si](Cl)(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of chloro-tris(2,4,6-trimethoxyphenyl)silane?
The InChIKey is UBROWRRQXPGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClO9Si/c1-29-16-10-19(32-4)25(20(11-16)33-5)38(28,26-21(34-6)12-17(30-2)13-22(26)35-7)27-23(36-8)14-18(31-3)15-24(27)37-9/h10-15H,1-9H3.
What are the key properties of chloro-tris(2,4,6-trimethoxyphenyl)silane?
chloro-tris(2,4,6-trimethoxyphenyl)silane has a molecular weight of 565.09 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,4,6-trimethoxyphenyl)silane is sourced from PubChem (CID 88962916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).