[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate

C28H56O4Sn — CID 90470537

IUPAC[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
SMILESCCCC[Sn](CCCC)(OC(=O)CCCCCC(C)(C)C)OC(=O)CCCCCC(C)(C)C
InChIInChI=1S/2C10H20O2.2C4H9.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;2*1-3-4-2;/h2*4-8H2,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeySRBBGWHVUDXXMK-UHFFFAOYSA-L
MW575.46 g/mol
LogP9.11
Rot. Bonds18

About [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate

[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate (PubChem CID 90470537) has the molecular formula C28H56O4Sn and a molecular weight of 575.46 g/mol. Its IUPAC name is [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate.

Molecular Properties

Compound Name[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
PubChem CID90470537
Molecular FormulaC28H56O4Sn
Molecular Weight575.46 g/mol
Exact Mass576.32
IUPAC Name[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
SMILESCCCC[Sn](CCCC)(OC(=O)CCCCCC(C)(C)C)OC(=O)CCCCCC(C)(C)C
InChIInChI=1S/2C10H20O2.2C4H9.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;2*1-3-4-2;/h2*4-8H2,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeySRBBGWHVUDXXMK-UHFFFAOYSA-L
XLogP9.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.46
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
CID 140559199
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
decyl 6,6-dimethylheptanoate
CID 141285002
9,9-dimethyldecanoyl 9,9-dimethyldecanoate
CID 141055153
[dibutyl-(2-octadecyl-2-sulfanylicosanoyl)oxystannyl] 2-octadecyl-2-sulfanylicosanoate
CID 139697711
tributylstannyl dodecanoate
CID 16683295
tributylstannyl octanoate
CID 16683987

Frequently Asked Questions

What is the IUPAC name of [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate?
The IUPAC name of [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate (CID 90470537) is [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate.
What is the SMILES notation for [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate?
The canonical SMILES for [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate is CCCC[Sn](CCCC)(OC(=O)CCCCCC(C)(C)C)OC(=O)CCCCCC(C)(C)C.
What is the InChIKey of [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate?
The InChIKey is SRBBGWHVUDXXMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.2C4H9.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;2*1-3-4-2;/h2*4-8H2,1-3H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate?
[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate has a molecular weight of 575.46 g/mol, XLogP of 9.11, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate is sourced from PubChem (CID 90470537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).