[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane

C40H38O3Sn2 — CID 23073817

IUPAC[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane
SMILESCC(O[Sn](O[Sn](OC(C)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C8H9O.4C6H5.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*1-2-4-6-5-3-1;;;/h2*2-7H,1H3;4*1-5H;;;/q2*-1;;;;;;2*+1
InChIKeyLLNXURUHWCGFMN-UHFFFAOYSA-N
MW804.16 g/mol
LogP7.07
Rot. Bonds12

About [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane

[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane (PubChem CID 23073817) has the molecular formula C40H38O3Sn2 and a molecular weight of 804.16 g/mol. Its IUPAC name is [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane.

Molecular Properties

Compound Name[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane
PubChem CID23073817
Molecular FormulaC40H38O3Sn2
Molecular Weight804.16 g/mol
Exact Mass806.09
IUPAC Name[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane
SMILESCC(O[Sn](O[Sn](OC(C)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C8H9O.4C6H5.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*1-2-4-6-5-3-1;;;/h2*2-7H,1H3;4*1-5H;;;/q2*-1;;;;;;2*+1
InChIKeyLLNXURUHWCGFMN-UHFFFAOYSA-N
XLogP7.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.16
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(disulfanyloxy)ethylbenzene
CID 139459005
cumene;2-methylpropane
CID 90828344
trimethyl(1-phenylethoxy)silane
CID 519015
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane
CID 23115073
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
cumene;ethane;bis(2-methylpropane)
CID 161044029
[(1R)-1-chloroethyl]benzene
CID 642190
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
1-(chloromethoxy)ethylbenzene
CID 13140582
[(1R)-1-phenylethyl] formate
CID 76963066
1-phenylethyl nitrite
CID 18989891
1-phenylethoxy-di(propan-2-yl)silane
CID 173140132

Frequently Asked Questions

What is the IUPAC name of [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane?
The IUPAC name of [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane (CID 23073817) is [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane.
What is the SMILES notation for [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane?
The canonical SMILES for [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane is CC(O[Sn](O[Sn](OC(C)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane?
The InChIKey is LLNXURUHWCGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9O.4C6H5.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*1-2-4-6-5-3-1;;;/h2*2-7H,1H3;4*1-5H;;;/q2*-1;;;;;;2*+1.
What are the key properties of [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane?
[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane has a molecular weight of 804.16 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane is sourced from PubChem (CID 23073817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).