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Molecule
Hydrogenated Bisphenol A
CAS: 80-04-6 · C15H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 80-04-6
- Molecular Formula
- C15H28O2
- Molecular Mass
- 240.39 g/mol
Identifiers
CAS Registry Number
80-04-6
SMILES
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1
InChI Key
CDBAMNGURPMUTG-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
Names and Synonyms
- Hydrogenated Bisphenol A Common Name
- Cyclohexanol, 4,4′-(1-methylethylidene)bis- Synonym
- Cyclohexanol, 4,4′-isopropylidenedi- Synonym
- 4,4′-(1-Methylethylidene)bis[cyclohexanol] Synonym
- HBPA Synonym
- 2,2-Bis(4-hydroxycyclohexyl)propane Synonym
- Hydrogenated bisphenol A Synonym
- 1,1′-Isopropylidenebis[4-cyclohexanol] Synonym
- Dodecahydrobisphenol A Synonym
- Perhydrobisphenol A Synonym
- Hydrobisphenol A Synonym
- Rikabinol HB Synonym
- 4,4′-Isopropylidenedicyclohexanol Synonym
- NSC 8990 Synonym
- NSC 8991 Synonym
- NSC 8992 Synonym
- HBPA (diol) Synonym
- 4,4′-(Propane-2,2-diyl)dicyclohexanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.39 g/mol | CAS Common Chemistry |
| 240.38699999999994 g/mol | RDKit | |
| 240.387 g/mol | RDKit | |
| Canonical SMILES | OC1CCC(CC1)C(C)(C)C2CCC(O)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CDBAMNGURPMUTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-140 °C | CAS Common Chemistry |
| Name | Hydrogenated bisphenol A | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.1148000000000016 | RDKit |
| 3.1148 | RDKit | |
| Molar Refractivity | 69.71060000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 240.208930136 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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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.
External Resources
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MW = 240.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H28O2.
