ditrityloxytin

C38H30O2Sn — CID 177426168

IUPACditrityloxytin
SMILESc1ccc(C(O[Sn]OC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15O.Sn/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2
InChIKeyZXJGGHMAXTUQJJ-UHFFFAOYSA-N
MW637.37 g/mol
LogP8.54
Rot. Bonds10

About ditrityloxytin

ditrityloxytin (PubChem CID 177426168) has the molecular formula C38H30O2Sn and a molecular weight of 637.37 g/mol. Its IUPAC name is ditrityloxytin.

Molecular Properties

Compound Nameditrityloxytin
PubChem CID177426168
Molecular FormulaC38H30O2Sn
Molecular Weight637.37 g/mol
Exact Mass638.13
IUPAC Nameditrityloxytin
SMILESc1ccc(C(O[Sn]OC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15O.Sn/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2
InChIKeyZXJGGHMAXTUQJJ-UHFFFAOYSA-N
XLogP8.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.37
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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trityloxysilane
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trityloxymethanamine
CID 59526425
trimethyl(trityloxy)silane
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[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
trityl(ditrityloxy)borane
CID 141397668
O-trityl ethanethioate
CID 3057355
fluoro(trityloxy)borinic acid
CID 53443390
[diphenyl(2-phenylethenoxy)methyl]benzene
CID 54172131

Frequently Asked Questions

What is the IUPAC name of ditrityloxytin?
The IUPAC name of ditrityloxytin (CID 177426168) is ditrityloxytin.
What is the SMILES notation for ditrityloxytin?
The canonical SMILES for ditrityloxytin is c1ccc(C(O[Sn]OC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ditrityloxytin?
The InChIKey is ZXJGGHMAXTUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15O.Sn/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;/q2*-1;+2.
What are the key properties of ditrityloxytin?
ditrityloxytin has a molecular weight of 637.37 g/mol, XLogP of 8.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditrityloxytin is sourced from PubChem (CID 177426168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).