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Molecule
Bicyclo[2.2.1]Heptane-2-Methanol
CAS: 5240-72-2 · C8H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5240-72-2
- Molecular Formula
- C8H14O
- Molecular Mass
- 126.20 g/mol
Identifiers
CAS Registry Number
5240-72-2
SMILES
OCC1CC2CCC1C2
InChI Key
LWHKUVOYICRGGR-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
Names and Synonyms
- Bicyclo[2.2.1]Heptane-2-Methanol Common Name
- Bicyclo[2.2.1]heptane-2-methanol Synonym
- 2-Norbornanemethanol Synonym
- CPC 1207 Synonym
- Experimental chemotherapeutant 1,207 Synonym
- 2-(Hydroxymethyl)bicyclo[2.2.1]heptane Synonym
- 2-(Hydroxymethyl)norcamphane Synonym
- 2-Norcamphanemethanol Synonym
- 2-Norbornylmethanol Synonym
- 2-(Hydroxymethyl)norbornane Synonym
- NSC 53599 Synonym
- NSC 55693 Synonym
- (Bicyclo[2.2.1]hept-2-yl)methanol Synonym
- Bicyclo[2.2.1]heptan-2-ylmethanol Synonym
- 3-Bicyclo[2.2.1]heptanylmethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.20 g/mol | CAS Common Chemistry |
| 126.199 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.005 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1CC2CCC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LWHKUVOYICRGGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bicyclo[2.2.1]heptane-2-methanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.4149 | RDKit |
| Molar Refractivity | 36.023799999999994 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 126.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 126.20 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O.
