CID 173066748

C5H9O3Sn — CID 173066748

IUPAC—
SMILESCCC(C)C(=O)O[Sn]=O
InChIInChI=1S/C5H10O2.O.Sn/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);;/q;;+1/p-1
InChIKeyZBUAMAIYXMMJRS-UHFFFAOYSA-M
MW235.83 g/mol
LogP0.54
Rot. Bonds3

About CID 173066748

CID 173066748 (PubChem CID 173066748) has the molecular formula C5H9O3Sn and a molecular weight of 235.83 g/mol.

Molecular Properties

Compound NameCID 173066748
PubChem CID173066748
Molecular FormulaC5H9O3Sn
Molecular Weight235.83 g/mol
Exact Mass236.96
IUPAC Name—
SMILESCCC(C)C(=O)O[Sn]=O
InChIInChI=1S/C5H10O2.O.Sn/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);;/q;;+1/p-1
InChIKeyZBUAMAIYXMMJRS-UHFFFAOYSA-M
XLogP0.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.83
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethane;ethyl 2-methylbutanoate
CID 144747106
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
propyl (2R)-2-methylbutanoate
CID 86306230
azanide;iridium;2-methylbutanoyloxyazanide
CID 88828500
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
3-methylhexan-2-yl 2-methylbutanoate
CID 129131551
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
isocyanomethyl 2-methylbutanoate
CID 59266759
methylsilylmethyl 2-methylbutanoate
CID 159920193

Frequently Asked Questions

What is the IUPAC name of CID 173066748?
The IUPAC name of CID 173066748 (CID 173066748) is not available.
What is the SMILES notation for CID 173066748?
The canonical SMILES for CID 173066748 is CCC(C)C(=O)O[Sn]=O.
What is the InChIKey of CID 173066748?
The InChIKey is ZBUAMAIYXMMJRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2.O.Sn/c1-3-4(2)5(6)7;;/h4H,3H2,1-2H3,(H,6,7);;/q;;+1/p-1.
What are the key properties of CID 173066748?
CID 173066748 has a molecular weight of 235.83 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173066748 is sourced from PubChem (CID 173066748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).