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Bicyclo[2.2.1]Hept-5-Ene-2-Methanol
CAS: 95-12-5 | C8H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-12-5
Molecular Formula:
C8H12O
Molecular Mass:
124.18 g/mol
Names and Synonyms:
Bicyclo[2.2.1]Hept-5-Ene-2-Methanol
Bicyclo[2.2.1]hept-5-ene-2-methanol
5-Norbornene-2-methanol
Cyclol
2-Hydroxymethyl-5-norbornene
5-(Hydroxymethyl)bicyclo[2.2.1]hept-2-ene
2-(Hydroxymethyl)bicyclo[2.2.1]hept-5-ene
5-Hydroxymethyl-2-norbornene
NSC 403110
Norbornene-5-methyl alcohol
Bicyclo[2.2.1]hept-5-en-2-ylmethanol
[Bicyclo[2.2.1]hept-5-en-2-yl]methanol
Identifiers:
SMILES:
OCC1CC2C=CC1C2
InChI:
InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
Key Properties
Boiling Point
92-95 °C @ Press: 13 Torr
CAS Common Chemistry
Density
1.03 g/cm³
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 | 124.18 g/mol | CAS Common Chemistry |
| 124.18299999999998 g/mol | RDKit | |
| 124.088815004 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.028 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 92-95 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1CC2C=CC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LUMNWCHHXDUKFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bicyclo[2.2.1]hept-5-ene-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 | 1.1908999999999998 | RDKit |
| Molar Refractivity | 35.9298 | RDKit |
