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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
Names and Synonyms:
Cyhexatin
Stannane, tricyclohexylhydroxy-
Tin, tricyclohexylhydroxy-
Tricyclohexylhydroxystannane
Plictran
Tricyclohexyltin hydroxide
Tricyclohexylhydroxytin
Plyctran
M 3180
Cyhexatin
Hydroxytricyclohexylstannane
Dowco 213
Tricyclohexylstannanol
Tricyclohexylstannyl hydroxide
Redran 25PB
Pliktran
Acarex
Acarstin
Acarstin L
NSC 179742
Sipcatin
Pennstyl
Hokko Cyhexatin
Identifiers:
SMILES:
[CH]1CCCCC1.[CH]1CCCCC1.[CH]1CCCCC1.[OH-].[Sn+]
InChI:
InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1
Key Properties
Melting Point
196 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 385.18 g/mol | CAS Common Chemistry |
| 385.1799999999999 g/mol | RDKit | |
| 386.16316040799995 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 89.84480000000006 | RDKit |
