trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane

C19H22Cl6O2Si2 — CID 91696372

IUPACtrimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane
SMILESC[Si](C)(C)Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(Cl)c(Cl)cc(Cl)c1O[Si](C)(C)C
InChIInChI=1S/C19H22Cl6O2Si2/c1-28(2,3)26-18-10(16(24)12(20)8-14(18)22)7-11-17(25)13(21)9-15(23)19(11)27-29(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZDANJYHVODGEOG-UHFFFAOYSA-N
MW551.27 g/mol
LogP9.63
Rot. Bonds6

About trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane

trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane (PubChem CID 91696372) has the molecular formula C19H22Cl6O2Si2 and a molecular weight of 551.27 g/mol. Its IUPAC name is trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane
PubChem CID91696372
Molecular FormulaC19H22Cl6O2Si2
Molecular Weight551.27 g/mol
Exact Mass547.93
IUPAC Nametrimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane
SMILESC[Si](C)(C)Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(Cl)c(Cl)cc(Cl)c1O[Si](C)(C)C
InChIInChI=1S/C19H22Cl6O2Si2/c1-28(2,3)26-18-10(16(24)12(20)8-14(18)22)7-11-17(25)13(21)9-15(23)19(11)27-29(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZDANJYHVODGEOG-UHFFFAOYSA-N
XLogP9.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.27
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane?
The IUPAC name of trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane (CID 91696372) is trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane.
What is the SMILES notation for trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane?
The canonical SMILES for trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane is C[Si](C)(C)Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(Cl)c(Cl)cc(Cl)c1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane?
The InChIKey is ZDANJYHVODGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl6O2Si2/c1-28(2,3)26-18-10(16(24)12(20)8-14(18)22)7-11-17(25)13(21)9-15(23)19(11)27-29(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane?
trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane has a molecular weight of 551.27 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane is sourced from PubChem (CID 91696372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).