butane;oxotin;hydrate

C4H12O2Sn — CID 174908567

IUPACbutane;oxotin;hydrate
SMILESCCCC.O.O=[Sn]
InChIInChI=1S/C4H10.H2O.O.Sn/c1-3-4-2;;;/h3-4H2,1-2H3;1H2;;
InChIKeyNEEOCRDZMYQQSN-UHFFFAOYSA-N
MW210.85 g/mol
LogP0.48
Rot. Bonds1

About butane;oxotin;hydrate

butane;oxotin;hydrate (PubChem CID 174908567) has the molecular formula C4H12O2Sn and a molecular weight of 210.85 g/mol. Its IUPAC name is butane;oxotin;hydrate.

Molecular Properties

Compound Namebutane;oxotin;hydrate
PubChem CID174908567
Molecular FormulaC4H12O2Sn
Molecular Weight210.85 g/mol
Exact Mass211.99
IUPAC Namebutane;oxotin;hydrate
SMILESCCCC.O.O=[Sn]
InChIInChI=1S/C4H10.H2O.O.Sn/c1-3-4-2;;;/h3-4H2,1-2H3;1H2;;
InChIKeyNEEOCRDZMYQQSN-UHFFFAOYSA-N
XLogP0.48
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.85
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;oxotin;hydrate?
The IUPAC name of butane;oxotin;hydrate (CID 174908567) is butane;oxotin;hydrate.
What is the SMILES notation for butane;oxotin;hydrate?
The canonical SMILES for butane;oxotin;hydrate is CCCC.O.O=[Sn].
What is the InChIKey of butane;oxotin;hydrate?
The InChIKey is NEEOCRDZMYQQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.H2O.O.Sn/c1-3-4-2;;;/h3-4H2,1-2H3;1H2;;.
What are the key properties of butane;oxotin;hydrate?
butane;oxotin;hydrate has a molecular weight of 210.85 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;oxotin;hydrate is sourced from PubChem (CID 174908567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).