[butanoyloxy(dibutyl)stannyl] butanoate

C16H32O4Sn — CID 16684199

IUPAC[butanoyloxy(dibutyl)stannyl] butanoate
SMILESCCCC[Sn](CCCC)(OC(=O)CCC)OC(=O)CCC
InChIInChI=1S/2C4H8O2.2C4H9.Sn/c2*1-2-3-4(5)6;2*1-3-4-2;/h2*2-3H2,1H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDWRBCWYHLKHQAP-UHFFFAOYSA-L
MW407.14 g/mol
LogP4.72
Rot. Bonds12

About [butanoyloxy(dibutyl)stannyl] butanoate

[butanoyloxy(dibutyl)stannyl] butanoate (PubChem CID 16684199) has the molecular formula C16H32O4Sn and a molecular weight of 407.14 g/mol. Its IUPAC name is [butanoyloxy(dibutyl)stannyl] butanoate.

Molecular Properties

Compound Name[butanoyloxy(dibutyl)stannyl] butanoate
PubChem CID16684199
Molecular FormulaC16H32O4Sn
Molecular Weight407.14 g/mol
Exact Mass408.13
IUPAC Name[butanoyloxy(dibutyl)stannyl] butanoate
SMILESCCCC[Sn](CCCC)(OC(=O)CCC)OC(=O)CCC
InChIInChI=1S/2C4H8O2.2C4H9.Sn/c2*1-2-3-4(5)6;2*1-3-4-2;/h2*2-3H2,1H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDWRBCWYHLKHQAP-UHFFFAOYSA-L
XLogP4.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.14
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477
[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
CID 90470537
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
[di(butanoyloxy)-dodecylstannyl] butanoate
CID 139676665
octyl 3-[3-[dibutyl-[3-(3-octoxy-3-oxopropyl)sulfanylpropanoyloxy]stannyl]oxy-3-oxopropyl]sulfanylpropanoate
CID 139716412
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
4-O-[dibutyl-(3-hydroxy-4-methoxy-4-oxobutanoyl)oxystannyl] 1-O-methyl 2-hydroxybutanedioate
CID 139654458
[[(9E,12E)-octadeca-9,12-dienoyl]oxy-dioctylstannyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 118856673

Frequently Asked Questions

What is the IUPAC name of [butanoyloxy(dibutyl)stannyl] butanoate?
The IUPAC name of [butanoyloxy(dibutyl)stannyl] butanoate (CID 16684199) is [butanoyloxy(dibutyl)stannyl] butanoate.
What is the SMILES notation for [butanoyloxy(dibutyl)stannyl] butanoate?
The canonical SMILES for [butanoyloxy(dibutyl)stannyl] butanoate is CCCC[Sn](CCCC)(OC(=O)CCC)OC(=O)CCC.
What is the InChIKey of [butanoyloxy(dibutyl)stannyl] butanoate?
The InChIKey is DWRBCWYHLKHQAP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.2C4H9.Sn/c2*1-2-3-4(5)6;2*1-3-4-2;/h2*2-3H2,1H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [butanoyloxy(dibutyl)stannyl] butanoate?
[butanoyloxy(dibutyl)stannyl] butanoate has a molecular weight of 407.14 g/mol, XLogP of 4.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyloxy(dibutyl)stannyl] butanoate is sourced from PubChem (CID 16684199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).