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Molecule
Enzacamene
CAS: 36861-47-9 · C18H22O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36861-47-9
- Molecular Formula
- C18H22O
- Molecular Mass
- 254.37 g/mol
Identifiers
CAS Registry Number
36861-47-9
SMILES
Cc1ccc(C=C2C(=O)C3(C)CCC2C3(C)C)cc1
InChI Key
HEOCBCNFKCOKBX-UHFFFAOYSA-N
InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3
Names and Synonyms
- Enzacamene Common Name
- Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]- Synonym
- Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-, (±)- Synonym
- 1,7,7-Trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one Synonym
- 3-(4-Methylbenzylidene)-DL-camphor Synonym
- 3-(p-Methylbenzylidene)-DL-camphor Synonym
- Eusolex 6300 Synonym
- 3-(4-Methylbenzylidene)camphor Synonym
- 3-(p-Methylbenzylidene)camphor Synonym
- p-Methylbenzylidenecamphor Synonym
- 1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one Synonym
- 4-Methylbenzylidenecamphor Synonym
- 3-(4′-Methylbenzylidene)camphor Synonym
- Parsol 5000 Synonym
- 3-(4-Methylbenzylidene)bornan-2-one Synonym
- Enzacamene Synonym
- Neo Heliopan MBC Synonym
- Uvinul MBC 95 Synonym
- Methylbenzylidenecamphor Synonym
- Parsol 500 Synonym
- 3-(4-Methylbenzylidene)-dl-camphor Synonym
- 4-MBC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.37 g/mol | CAS Common Chemistry |
| 254.37299999999996 g/mol | RDKit | |
| 254.373 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Enzacamene | CAS Common Chemistry |
| Boiling Point | 198-200 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C(=CC2=CC=C(C=C2)C)C3CCC1(C)C3(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HEOCBCNFKCOKBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25 °C | CAS Common Chemistry |
| Name | 3-(4′-Methylbenzylidene)camphor | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.403620000000004 | RDKit |
| 4.4036 | RDKit | |
| 4.51 | chempirical lib | |
| Molar Refractivity | 78.77500000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 254.167065324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 254.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H22O.
