[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate

C26H52O4Sn — CID 140559199

IUPAC[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
SMILESCC(C)(C)CCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCC(C)(C)C
InChIInChI=1S/2C12H24O2.2CH3.Sn/c2*1-12(2,3)10-8-6-4-5-7-9-11(13)14;;;/h2*4-10H2,1-3H3,(H,13,14);2*1H3;/q;;;;+2/p-2
InChIKeyIIBOCEMBXRAEDP-UHFFFAOYSA-L
MW547.41 g/mol
LogP8.33
Rot. Bonds16

About [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate

[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate (PubChem CID 140559199) has the molecular formula C26H52O4Sn and a molecular weight of 547.41 g/mol. Its IUPAC name is [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate.

Molecular Properties

Compound Name[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
PubChem CID140559199
Molecular FormulaC26H52O4Sn
Molecular Weight547.41 g/mol
Exact Mass548.29
IUPAC Name[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
SMILESCC(C)(C)CCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCC(C)(C)C
InChIInChI=1S/2C12H24O2.2CH3.Sn/c2*1-12(2,3)10-8-6-4-5-7-9-11(13)14;;;/h2*4-10H2,1-3H3,(H,13,14);2*1H3;/q;;;;+2/p-2
InChIKeyIIBOCEMBXRAEDP-UHFFFAOYSA-L
XLogP8.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.41
LogP ≤ 58.33
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

9,9-dimethyldecanoyl 9,9-dimethyldecanoate
CID 141055153
[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
CID 90470537
amino 7,7-dimethyloctanoate
CID 156697995
CID 162111833
CID 162111833
2-(7,7-dimethyloctanoyloxy)acetic acid
CID 159639986
methyl 6,6-dimethylheptanoate
CID 20777196
bromo 6,6-dimethylheptanoate
CID 174457902
4,4-dimethylpentyl 7,7-dimethyloctaneperoxoate
CID 163894829
ethenyl 25,25-dimethylhexacosanoate
CID 141448423
ethenyl 22,22-dimethyltricosanoate
CID 141448419
phosphono 7,7-dimethyloctanoate
CID 87552057
ethene;ethenyl 7,7-dimethyloctanoate
CID 160753731

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate?
The IUPAC name of [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate (CID 140559199) is [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate.
What is the SMILES notation for [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate?
The canonical SMILES for [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate is CC(C)(C)CCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCC(C)(C)C.
What is the InChIKey of [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate?
The InChIKey is IIBOCEMBXRAEDP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2CH3.Sn/c2*1-12(2,3)10-8-6-4-5-7-9-11(13)14;;;/h2*4-10H2,1-3H3,(H,13,14);2*1H3;/q;;;;+2/p-2.
What are the key properties of [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate?
[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate has a molecular weight of 547.41 g/mol, XLogP of 8.33, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate is sourced from PubChem (CID 140559199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).