[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate

C36H58O11Sn2 — CID 16683191

IUPAC[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyGPLUHLHQOLIMEW-UHFFFAOYSA-L
MW904.27 g/mol
LogP8.85
Rot. Bonds24

About [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate

[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate (PubChem CID 16683191) has the molecular formula C36H58O11Sn2 and a molecular weight of 904.27 g/mol. Its IUPAC name is [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
PubChem CID16683191
Molecular FormulaC36H58O11Sn2
Molecular Weight904.27 g/mol
Exact Mass906.20
IUPAC Name[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyGPLUHLHQOLIMEW-UHFFFAOYSA-L
XLogP8.85
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.27
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate
CID 16683185
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
methyl 2-(2-butoxy-2-oxoethoxy)-3,4-dimethoxybenzoate
CID 69042998
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
methyl 2-(1-bromopentyl)-3,4-dimethoxybenzoate
CID 139719603
[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
CID 16707575
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080
1-(6-acetyl-2,3-dimethoxyphenoxy)hexan-2-one
CID 158404898

Frequently Asked Questions

What is the IUPAC name of [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate (CID 16683191) is [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate is CCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate?
The InChIKey is GPLUHLHQOLIMEW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O5.4C4H9.O.2Sn/c2*1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;4*1-3-4-2;;;/h2*4-5H,1-3H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate?
[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate has a molecular weight of 904.27 g/mol, XLogP of 8.85, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 16683191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).