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Molecule
Tetramethyl Acetyloctahydronaphthalenes
CAS: 54464-57-2 · C16H26O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54464-57-2
- Molecular Formula
- C16H26O
- Molecular Mass
- 234.38 g/mol
Identifiers
CAS Registry Number
54464-57-2
SMILES
CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C
InChI Key
FVUGZKDGWGKCFE-UHFFFAOYSA-N
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
Names and Synonyms
- Tetramethyl Acetyloctahydronaphthalenes Common Name
- Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- Synonym
- 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone Synonym
- 1′,2′,3′,4′,5′,6′,7′,8′-Octahydro-2′,3′,8′,8′-tetramethyl-2′-acetonaphthone Synonym
- Iso-E Super Synonym
- Isocyclemone E Synonym
- 7-Acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnaphthalene Synonym
- Ambralux Synonym
- Orbitone Synonym
- OTNE Synonym
- Amberonne Synonym
- Iso Ambois Super Synonym
- 1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-acetonaphthone Synonym
- Isocyclemone Synonym
- 2-Acetyl-2,3,8,8-tetramethyloctalin Synonym
- 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one Synonym
- 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethan-1-one Synonym
- Ambrotone Synonym
- 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone Synonym
- 1-(2,3,8,8-Tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.38 g/mol | CAS Common Chemistry |
| 234.38299999999995 g/mol | RDKit | |
| 234.383 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 |
| 4.5183 | RDKit | |
| Molar Refractivity | 71.84400000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8125 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 234.198365452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 234.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H26O.
