tris(2,2-dimethylpropanoate);methyltin(3+)

C16H30O6Sn — CID 160806145

IUPACtris(2,2-dimethylpropanoate);methyltin(3+)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[Sn+3]
InChIInChI=1S/3C5H10O2.CH3.Sn/c3*1-5(2,3)4(6)7;;/h3*1-3H3,(H,6,7);1H3;/q;;;;+3/p-3
InChIKeySDSFVGMEKXDPCR-UHFFFAOYSA-K
MW437.12 g/mol
LogP-0.45
Rot. Bonds

About tris(2,2-dimethylpropanoate);methyltin(3+)

tris(2,2-dimethylpropanoate);methyltin(3+) (PubChem CID 160806145) has the molecular formula C16H30O6Sn and a molecular weight of 437.12 g/mol. Its IUPAC name is tris(2,2-dimethylpropanoate);methyltin(3+).

Molecular Properties

Compound Nametris(2,2-dimethylpropanoate);methyltin(3+)
PubChem CID160806145
Molecular FormulaC16H30O6Sn
Molecular Weight437.12 g/mol
Exact Mass438.11
IUPAC Nametris(2,2-dimethylpropanoate);methyltin(3+)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[Sn+3]
InChIInChI=1S/3C5H10O2.CH3.Sn/c3*1-5(2,3)4(6)7;;/h3*1-3H3,(H,6,7);1H3;/q;;;;+3/p-3
InChIKeySDSFVGMEKXDPCR-UHFFFAOYSA-K
XLogP-0.45
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

iodanium 2,2-dimethylpropanoate
CID 172810367
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CID 23662159
2,2-dimethylpropanoate;palladium
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barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121
bis(methyltin(3+));tricarbonate
CID 161423309
CID 170847809
CID 170847809
tris(2,2-dimethyl-3-oxobutanoate);gold(3+)
CID 23206789
copper 2,2-dimethylpropanedioate
CID 88802618
dialuminum;tris(2,2-dimethylpropanedioate)
CID 160958498
dipotassium;2,2-dimethylpropanedioate
CID 87067111
cyclopenta-1,3-diene;tris(2,2-dimethylpropanoate);zirconium(4+)
CID 159648131

Frequently Asked Questions

What is the IUPAC name of tris(2,2-dimethylpropanoate);methyltin(3+)?
The IUPAC name of tris(2,2-dimethylpropanoate);methyltin(3+) (CID 160806145) is tris(2,2-dimethylpropanoate);methyltin(3+).
What is the SMILES notation for tris(2,2-dimethylpropanoate);methyltin(3+)?
The canonical SMILES for tris(2,2-dimethylpropanoate);methyltin(3+) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[Sn+3].
What is the InChIKey of tris(2,2-dimethylpropanoate);methyltin(3+)?
The InChIKey is SDSFVGMEKXDPCR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H10O2.CH3.Sn/c3*1-5(2,3)4(6)7;;/h3*1-3H3,(H,6,7);1H3;/q;;;;+3/p-3.
What are the key properties of tris(2,2-dimethylpropanoate);methyltin(3+)?
tris(2,2-dimethylpropanoate);methyltin(3+) has a molecular weight of 437.12 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2-dimethylpropanoate);methyltin(3+) is sourced from PubChem (CID 160806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).