Back to Search
(-)-Isolongifolene
CAS: 1135-66-6 | C15H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1135-66-6
Molecular Formula:
C15H24
Molecular Mass:
204.36 g/mol
Names and Synonyms:
(-)-Isolongifolene
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
Isolongifolene
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
(2S,4aR)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
(-)-Isolongifolene
Identifiers:
SMILES:
CC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3
InChI:
InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
Key Properties
Boiling Point
107 °C @ Press: 7 Torr
CAS Common Chemistry
Density
0.93 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 | 204.36 g/mol | CAS Common Chemistry |
| 204.35699999999994 g/mol | RDKit | |
| 204.187800768 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9295 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 107 °C @ Press: 7 Torr | CAS Common Chemistry |
| Canonical SMILES | C1=C2C(C)(C)C3CCC2(C3)C(C)(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CQUAYTJDLQBXCQ-NHYWBVRUSA-N | CAS Common Chemistry |
| Name | (-)-Isolongifolene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.5591000000000035 | RDKit |
| Molar Refractivity | 64.65300000000005 | RDKit |
