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Molecule
Butylhydroxyoxostannane
CAS: 2273-43-0 · C4H10O2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2273-43-0
- Molecular Formula
- C4H10O2Sn
- Molecular Mass
- 208.83299999999997 g/mol
Identifiers
CAS Registry Number
2273-43-0
SMILES
[CH2]CCC.[OH-].[O].[Sn+]
InChI Key
WIHMDCQAEONXND-UHFFFAOYSA-M
InChI
InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1
Names and Synonyms
- Butylhydroxyoxostannane Common Name
- NSC 179724 Synonym
- Stannane, butylhydroxyoxo- Synonym
- 1-Butanestannonic acid Synonym
- Butanestannonic acid Synonym
- Butylhydroxyoxostannane Synonym
- Butylstannonic acid Synonym
- Butylstannoic acid Synonym
- Butyltin hydroxide oxide Synonym
- Butylhydroxytin oxide Synonym
- n-Butyltin oxide hydroxide Synonym
- n-Butyltin hydroxide oxide Synonym
- NSC 96391 Synonym
- Fascat 4100 Synonym
- Butyl(oxo)stannanol Synonym
- Butylstannic acid Synonym
- Fascat 9100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=[Sn](O)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WIHMDCQAEONXND-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Butylhydroxyoxostannane | CAS Common Chemistry |
| Molecular Mass | 208.83299999999997 g/mol | RDKit |
| 209.97027426 g/mol | RDKit | |
| 208.833 g/mol | RDKit | |
| 213.872 g/mol | chempirical lib | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.5 Ų | RDKit |
| LogP | 0.94419 | RDKit |
| 0.9442 | RDKit | |
| Molar Refractivity | 28.641299999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 208.83 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 208.83 g/mol. Edit any field — others recompute live.
