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Tetramethyl Acetyloctahydronaphthalenes
CAS: 54464-57-2 | C16H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54464-57-2
Molecular Formula:
C16H26O
Molecular Mass:
234.38 g/mol
Names and Synonyms:
Tetramethyl Acetyloctahydronaphthalenes
Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone
1′,2′,3′,4′,5′,6′,7′,8′-Octahydro-2′,3′,8′,8′-tetramethyl-2′-acetonaphthone
Iso-E Super
Isocyclemone E
7-Acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnaphthalene
Ambralux
Orbitone
OTNE
Amberonne
Iso Ambois Super
1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-acetonaphthone
Isocyclemone
2-Acetyl-2,3,8,8-tetramethyloctalin
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethan-1-one
Ambrotone
1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
1-(2,3,8,8-Tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone
Identifiers:
SMILES:
CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C
InChI:
InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
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 | 234.38 g/mol | CAS Common Chemistry |
| 234.38299999999995 g/mol | RDKit | |
| 234.198365452 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethyl_acetyloctahydronaphthalenes | CAS Common Chemistry |
| Canonical SMILES | O=C(C)C1(C)CC2=C(CCCC2(C)C)CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FVUGZKDGWGKCFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iso-E Super | CAS Common Chemistry |
| Tetramethyl acetyloctahydronaphthalenes | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.518300000000004 | RDKit |
| Molar Refractivity | 71.84400000000005 | RDKit |
