butanoic acid;dimethyltin

C6H14O2Sn — CID 174487557

IUPACbutanoic acid;dimethyltin
SMILESCCCC(=O)O.C[Sn]C
InChIInChI=1S/C4H8O2.2CH3.Sn/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);2*1H3;
InChIKeyIOZJTGQTAYSTNL-UHFFFAOYSA-N
MW236.89 g/mol
LogP1.66
Rot. Bonds2

About butanoic acid;dimethyltin

butanoic acid;dimethyltin (PubChem CID 174487557) has the molecular formula C6H14O2Sn and a molecular weight of 236.89 g/mol. Its IUPAC name is butanoic acid;dimethyltin.

Molecular Properties

Compound Namebutanoic acid;dimethyltin
PubChem CID174487557
Molecular FormulaC6H14O2Sn
Molecular Weight236.89 g/mol
Exact Mass238.00
IUPAC Namebutanoic acid;dimethyltin
SMILESCCCC(=O)O.C[Sn]C
InChIInChI=1S/C4H8O2.2CH3.Sn/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);2*1H3;
InChIKeyIOZJTGQTAYSTNL-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.89
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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butanoic acid;praseodymium
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azane;butanoic acid
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Frequently Asked Questions

What is the IUPAC name of butanoic acid;dimethyltin?
The IUPAC name of butanoic acid;dimethyltin (CID 174487557) is butanoic acid;dimethyltin.
What is the SMILES notation for butanoic acid;dimethyltin?
The canonical SMILES for butanoic acid;dimethyltin is CCCC(=O)O.C[Sn]C.
What is the InChIKey of butanoic acid;dimethyltin?
The InChIKey is IOZJTGQTAYSTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2CH3.Sn/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);2*1H3;.
What are the key properties of butanoic acid;dimethyltin?
butanoic acid;dimethyltin has a molecular weight of 236.89 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;dimethyltin is sourced from PubChem (CID 174487557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).