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Molecule
Β3,Β3,Β9,Β9-Tetramethyl-2,4,8,10-Tetraoxaspiro[5.5]Undecane-3,9-Diethanol
CAS: 1455-42-1 · C15H28O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1455-42-1
- Molecular Formula
- C15H28O6
- Molecular Mass
- 304.38 g/mol
Identifiers
CAS Registry Number
1455-42-1
SMILES
CC(C)(CO)C1OCC2(CO1)COC(C(C)(C)CO)OC2
InChI Key
BPZIYBJCZRUDEG-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3
Names and Synonyms
- Β3,Β3,Β9,Β9-Tetramethyl-2,4,8,10-Tetraoxaspiro[5.5]Undecane-3,9-Diethanol Synonym
- 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, β3,β3,β9,β9-tetramethyl- Synonym
- 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, β,β,β′,β′-tetramethyl- Synonym
- β3,β3,β9,β9-Tetramethyl-2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diethanol Synonym
- 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane Synonym
- Spiroglycol Synonym
- 3,9-Bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro(5.5)undecane Synonym
- β,β,β′β′-Tetramethyl-3,9-(2,4,8,10-tetraoxaspiro[5.5]undecane)diethanol Synonym
- 2,2′-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropan-1-ol) Synonym
- 2-[3-(1-Hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.38 g/mol | CAS Common Chemistry |
| 304.38300000000004 g/mol | RDKit | |
| 304.383 g/mol | RDKit | |
| Canonical SMILES | OCC(C)(C)C1OCC2(CO1)COC(OC2)C(C)(C)CO | CAS Common Chemistry |
| InChI | InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BPZIYBJCZRUDEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-194 °C | CAS Common Chemistry |
| Name | β3,β3,β9,β9-Tetramethyl-2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diethanol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.38000000000001 Ų | RDKit |
| 77.38 Ų | RDKit | |
| LogP | 0.7555999999999998 | RDKit |
| 0.7556 | RDKit | |
| Molar Refractivity | 75.55060000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 304.188588616 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 304.38 g/mol. Edit any field — others recompute live.
