2-(3,3-Dimethylbicyclo[2.2.1]heptan-2-ylidene)ethyl acetate
Basic information
- CAS
2226-03-1- Standard SMILES
CC(=O)OCC=C1C2CCC(C2)C1(C)C- InChIKey
DVZKEXVVDIXSMK-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Overview
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Names & identifiers
- Preferred name
- 2-(3,3-Dimethylbicyclo[2.2.1]heptan-2-ylidene)ethyl acetate
- IUPAC
- 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl acetate
- English name
- 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
2226-03-1DTXSID80883813DVZKEXVVDIXSMK-UHFFFAOYSA-NNS000833712-(3,3-Dimethylbicyclo[2.2.1]heptan-2-ylidene)ethyl acetateEinecs 218-754-62-(2,2-Dimethyl-3-norbornylidene)ethyl acetate2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate2-(3,3-Dimethylbicyclo[2.2.1]heptan-2-ylidene)ethanol acetateEthanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, acetateEthanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
Database identifiers
- CAS
2226-03-1- PubChem CID
- 94045
- DTXSID
DTXSID80883813- EC Number
- 218-754-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 272.304 · 272.304±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- LogP
- 4.04 · 4.040 (est)
- EPA Substance Registry System
- 2 · Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, acetate (2226-03-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
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Related reactions
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Compound notes
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