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Lindenenol
CAS: 26146-27-0 | C15H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26146-27-0
Molecular Formula:
C15H18O2
Molecular Mass:
230.31 g/mol
Names and Synonyms:
Lindenenol
Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS)-
Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4β,4aα,5,5aα,6,6aα,6b,7-octahydro-3,6bβ-dimethyl-5-methylene-
Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, [4R-(4α,4aα,5aα,6aα,6bβ)]-
(4R,4aS,5aS,6aR,6bS)-4,4a,5,5a,6,6a,6b,7-Octahydro-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-4-ol
Lindenenol
Linderene
Identifiers:
SMILES:
C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](O)[C@@H]12
InChI:
InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1
Key Properties
Melting Point
145 °C
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 | 230.31 g/mol | CAS Common Chemistry |
| 230.307 g/mol | RDKit | |
| 230.130679816 g/mol | RDKit | |
| Canonical SMILES | OC1C2=C(OC=C2C)CC3(C)C1C(=C)C4CC43 | CAS Common Chemistry |
| InChI | InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XRDJYSVGPBJZSG-PSDLAXTLSA-N | CAS Common Chemistry |
| Melting Point | 145 °C | CAS Common Chemistry |
| Name | Lindenenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.370000000000005 Ų | RDKit |
| LogP | 3.0059200000000015 | RDKit |
| Molar Refractivity | 64.44280000000003 | RDKit |
