trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane

C38H54O4Si4 — CID 139887552

IUPACtrimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C)cc2)C(c2ccc(O[Si](C)(C)C)cc2)c2ccc(O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C38H54O4Si4/c1-43(2,3)39-33-21-13-29(14-22-33)37(30-15-23-34(24-16-30)40-44(4,5)6)38(31-17-25-35(26-18-31)41-45(7,8)9)32-19-27-36(28-20-32)42-46(10,11)12/h13-28,37-38H,1-12H3
InChIKeyIUFYVDZFPXOEMW-UHFFFAOYSA-N
MW687.19 g/mol
LogP11.51
Rot. Bonds13

About trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane

trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane (PubChem CID 139887552) has the molecular formula C38H54O4Si4 and a molecular weight of 687.19 g/mol. Its IUPAC name is trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
PubChem CID139887552
Molecular FormulaC38H54O4Si4
Molecular Weight687.19 g/mol
Exact Mass686.31
IUPAC Nametrimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C)cc2)C(c2ccc(O[Si](C)(C)C)cc2)c2ccc(O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C38H54O4Si4/c1-43(2,3)39-33-21-13-29(14-22-33)37(30-15-23-34(24-16-30)40-44(4,5)6)38(31-17-25-35(26-18-31)41-45(7,8)9)32-19-27-36(28-20-32)42-46(10,11)12/h13-28,37-38H,1-12H3
InChIKeyIUFYVDZFPXOEMW-UHFFFAOYSA-N
XLogP11.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.19
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
CID 171207296
dichloro-methyl-[1-(4-trimethylsilyloxyphenyl)propyl]silane
CID 155629440
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
4-trimethylsilyloxy-N-(4-trimethylsilyloxyphenyl)aniline
CID 54109170
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane (CID 139887552) is trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane is C[Si](C)(C)Oc1ccc(C(c2ccc(O[Si](C)(C)C)cc2)C(c2ccc(O[Si](C)(C)C)cc2)c2ccc(O[Si](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane?
The InChIKey is IUFYVDZFPXOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54O4Si4/c1-43(2,3)39-33-21-13-29(14-22-33)37(30-15-23-34(24-16-30)40-44(4,5)6)38(31-17-25-35(26-18-31)41-45(7,8)9)32-19-27-36(28-20-32)42-46(10,11)12/h13-28,37-38H,1-12H3.
What are the key properties of trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane?
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane has a molecular weight of 687.19 g/mol, XLogP of 11.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane is sourced from PubChem (CID 139887552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).