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Molecule
Cyhexatin
CAS: 13121-70-5 · C18H34OSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13121-70-5
- Molecular Formula
- C18H34OSn
- Molecular Mass
- 385.18 g/mol
Identifiers
CAS Registry Number
13121-70-5
SMILES
[CH]1CCCCC1.[CH]1CCCCC1.[CH]1CCCCC1.[OH-].[Sn+]
InChI Key
WCMMILVIRZAPLE-UHFFFAOYSA-M
InChI
InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1
Names and Synonyms
- Cyhexatin Common Name
- Stannane, tricyclohexylhydroxy- Synonym
- Tin, tricyclohexylhydroxy- Synonym
- Tricyclohexylhydroxystannane Synonym
- Plictran Synonym
- Tricyclohexyltin hydroxide Synonym
- Tricyclohexylhydroxytin Synonym
- Plyctran Synonym
- M 3180 Synonym
- Cyhexatin Synonym
- Hydroxytricyclohexylstannane Synonym
- Dowco 213 Synonym
- Tricyclohexylstannanol Synonym
- Tricyclohexylstannyl hydroxide Synonym
- Redran 25PB Synonym
- Pliktran Synonym
- Acarex Synonym
- Acarstin Synonym
- Acarstin L Synonym
- NSC 179742 Synonym
- Sipcatin Synonym
- Pennstyl Synonym
- Hokko Cyhexatin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 385.18 g/mol | CAS Common Chemistry |
| 386.16316040799995 g/mol | RDKit | |
| 388.203 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyhexatin | CAS Common Chemistry |
| Canonical SMILES | O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WCMMILVIRZAPLE-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | Cyhexatin | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 5.906770000000005 | RDKit |
| 5.9068 | RDKit | |
| Molar Refractivity | 89.84480000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| Exact Mass | 385.1799999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 385.18 g/mol. Edit any field — others recompute live.
