[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate

C28H40O10Sn — CID 16683185

IUPAC[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyJFRMRNAMFYAHPG-UHFFFAOYSA-L
MW655.33 g/mol
LogP5.79
Rot. Bonds16

About [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate

[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate (PubChem CID 16683185) has the molecular formula C28H40O10Sn and a molecular weight of 655.33 g/mol. Its IUPAC name is [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate
PubChem CID16683185
Molecular FormulaC28H40O10Sn
Molecular Weight655.33 g/mol
Exact Mass656.16
IUPAC Name[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyJFRMRNAMFYAHPG-UHFFFAOYSA-L
XLogP5.79
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.33
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
[dibutyl-[dibutyl-(2,3,4-trimethoxybenzoyl)oxystannyl]oxystannyl] 2,3,4-trimethoxybenzoate
CID 16683191
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
2-oxobutanoyl 3,4,5-trimethoxybenzoate
CID 88749228
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
[(2R)-1-amino-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572150
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
4-butoxy-3,5-dimethoxybenzamide
CID 3027029

Frequently Asked Questions

What is the IUPAC name of [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate (CID 16683185) is [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate is CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate?
The InChIKey is JFRMRNAMFYAHPG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O5.2C4H9.Sn/c2*1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;2*1-3-4-2;/h2*4-5H,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate?
[dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate has a molecular weight of 655.33 g/mol, XLogP of 5.79, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-(3,4,5-trimethoxybenzoyl)oxystannyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 16683185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).