bis(2,2-dimethyloctanoate);tin(2+) dihydride

C20H38O4Sn — CID 173040991

IUPACbis(2,2-dimethyloctanoate);tin(2+) dihydride
SMILESCCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Sn+2]
InChIInChI=1S/2C10H20O2.Sn/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyFKSIMPHLYJJPCZ-UHFFFAOYSA-L
MW461.23 g/mol
LogP3.09
Rot. Bonds12

About bis(2,2-dimethyloctanoate);tin(2+) dihydride

bis(2,2-dimethyloctanoate);tin(2+) dihydride (PubChem CID 173040991) has the molecular formula C20H38O4Sn and a molecular weight of 461.23 g/mol. Its IUPAC name is bis(2,2-dimethyloctanoate);tin(2+) dihydride.

Molecular Properties

Compound Namebis(2,2-dimethyloctanoate);tin(2+) dihydride
PubChem CID173040991
Molecular FormulaC20H38O4Sn
Molecular Weight461.23 g/mol
Exact Mass462.18
IUPAC Namebis(2,2-dimethyloctanoate);tin(2+) dihydride
SMILESCCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Sn+2]
InChIInChI=1S/2C10H20O2.Sn/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyFKSIMPHLYJJPCZ-UHFFFAOYSA-L
XLogP3.09
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.23
LogP ≤ 53.09
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

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CID 159491834
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2-hexyl-2-methylpentadecanoate
CID 57350898
bis(2,2-dimethyloctanoate);platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 14801299
calcium 2,2-didodecylpropanedioate
CID 153423845
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
N,2,2-trimethyloctadecanamide
CID 158817445
(2S)-2-azaniumyl-2-methyloctanoate
CID 36689547
silver 2,2-dimethylpentanoate
CID 121375132
2,2-dimethyldodecanoyl chloride
CID 15656432

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyloctanoate);tin(2+) dihydride?
The IUPAC name of bis(2,2-dimethyloctanoate);tin(2+) dihydride (CID 173040991) is bis(2,2-dimethyloctanoate);tin(2+) dihydride.
What is the SMILES notation for bis(2,2-dimethyloctanoate);tin(2+) dihydride?
The canonical SMILES for bis(2,2-dimethyloctanoate);tin(2+) dihydride is CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Sn+2].
What is the InChIKey of bis(2,2-dimethyloctanoate);tin(2+) dihydride?
The InChIKey is FKSIMPHLYJJPCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Sn/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(2,2-dimethyloctanoate);tin(2+) dihydride?
bis(2,2-dimethyloctanoate);tin(2+) dihydride has a molecular weight of 461.23 g/mol, XLogP of 3.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyloctanoate);tin(2+) dihydride is sourced from PubChem (CID 173040991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).