[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate

C22H40N2O5Sn2 — CID 88826560

IUPAC[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate
SMILESCCCC[Sn](CCCC)(OC(=O)CC#N)O[Sn](CCCC)(CCCC)OC(=O)CC#N
InChIInChI=1S/4C4H9.2C3H3NO2.O.2Sn/c4*1-3-4-2;2*4-2-1-3(5)6;;;/h4*1,3-4H2,2H3;2*1H2,(H,5,6);;;/q;;;;;;;2*+1/p-2
InChIKeyYFTQCLCWEOCODQ-UHFFFAOYSA-L
MW649.99 g/mol
LogP6.00
Rot. Bonds18

About [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate

[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate (PubChem CID 88826560) has the molecular formula C22H40N2O5Sn2 and a molecular weight of 649.99 g/mol. Its IUPAC name is [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate.

Molecular Properties

Compound Name[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate
PubChem CID88826560
Molecular FormulaC22H40N2O5Sn2
Molecular Weight649.99 g/mol
Exact Mass652.10
IUPAC Name[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate
SMILESCCCC[Sn](CCCC)(OC(=O)CC#N)O[Sn](CCCC)(CCCC)OC(=O)CC#N
InChIInChI=1S/4C4H9.2C3H3NO2.O.2Sn/c4*1-3-4-2;2*4-2-1-3(5)6;;;/h4*1,3-4H2,2H3;2*1H2,(H,5,6);;;/q;;;;;;;2*+1/p-2
InChIKeyYFTQCLCWEOCODQ-UHFFFAOYSA-L
XLogP6.00
TPSA109.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.99
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
ethyl 2-cyanoacetate;1-iodobutane
CID 20557399
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
ethyl 2-(azanylidyne(113C)methyl)acetate
CID 71316554
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
octan-3-yl 2-cyanoacetate
CID 54382959
4-O-[dibutyl-(3-hydroxy-4-methoxy-4-oxobutanoyl)oxystannyl] 1-O-methyl 2-hydroxybutanedioate
CID 139654458

Frequently Asked Questions

What is the IUPAC name of [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate?
The IUPAC name of [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate (CID 88826560) is [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate.
What is the SMILES notation for [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate?
The canonical SMILES for [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate is CCCC[Sn](CCCC)(OC(=O)CC#N)O[Sn](CCCC)(CCCC)OC(=O)CC#N.
What is the InChIKey of [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate?
The InChIKey is YFTQCLCWEOCODQ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C4H9.2C3H3NO2.O.2Sn/c4*1-3-4-2;2*4-2-1-3(5)6;;;/h4*1,3-4H2,2H3;2*1H2,(H,5,6);;;/q;;;;;;;2*+1/p-2.
What are the key properties of [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate?
[dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate has a molecular weight of 649.99 g/mol, XLogP of 6.00, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[dibutyl-(2-cyanoacetyl)oxystannyl]oxystannyl] 2-cyanoacetate is sourced from PubChem (CID 88826560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).