Back to Search
Molecule
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
Identifiers
CAS Registry Number
95-12-5
SMILES
OCC1CC2C=CC1C2
InChI Key
LUMNWCHHXDUKFI-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
Names and Synonyms
- Bicyclo[2.2.1]Hept-5-Ene-2-Methanol Common Name
- Bicyclo[2.2.1]hept-5-ene-2-methanol Synonym
- 5-Norbornene-2-methanol Synonym
- Cyclol Synonym
- 2-Hydroxymethyl-5-norbornene Synonym
- 5-(Hydroxymethyl)bicyclo[2.2.1]hept-2-ene Synonym
- 2-(Hydroxymethyl)bicyclo[2.2.1]hept-5-ene Synonym
- 5-Hydroxymethyl-2-norbornene Synonym
- NSC 403110 Synonym
- Norbornene-5-methyl alcohol Synonym
- Bicyclo[2.2.1]hept-5-en-2-ylmethanol Synonym
- [Bicyclo[2.2.1]hept-5-en-2-yl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.18 g/mol | CAS Common Chemistry |
| 124.18299999999998 g/mol | RDKit | |
| 124.183 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.028 g/cm3 @ 20 °C | 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 |
| 1.1909 | RDKit | |
| Molar Refractivity | 35.9298 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 124.088815004 g/mol | RDKit |
| Boiling Point | 92-95 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 124.18 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12O.
