2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-
Basic information
- CAS
33933-72-1- Standard SMILES
C=CC1(C)CCC(=O)C(C)(C)O1- InChIKey
ATQPZCOAQSYTPR-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl- has been reported in Tanacetum vulgare with data available.
Names & identifiers
- Preferred name
- 2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-
- IUPAC
- 6-ethenyl-2,2,6-trimethyloxan-3-one
- English name
- Tetrahydro-2,2,6-trimethyl-6-vinyl-3-pyranone
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
33933-72-12H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-DTXSID50338486RefChem:268912DTXCID602895716-Ethenyldihydro-2,2,6-trimethyl-2H-pyran-3(4H)-one6-ethenyl-2,2,6-trimethyloxan-3-one2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-vinyl-Tetrahydro-2,2,6-trimethyl-6-vinyl-3-pyranoneSCHEMBL20873447ATQPZCOAQSYTPR-UHFFFAOYSA-N2,2,6-Trimethyl-3-keto-6-vinyltetrahydropyran
Show more names
5,6-Dihydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3(4H)-one
2,2,6-trimethyl-6-ethenyl-4,5-dihydro-3-pyranone2,2,6-Trimethyl-6-vinyldihydro-2H-pyran-3(4H)-one #dihydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3(4H)-one
Database identifiers
- CAS
33933-72-1- PubChem CID
- 549336
- DTXSID
DTXSID50338486- Nikkaji
- J100.324K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 215.2 · 215.2±40.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses6-Ethenyldihydro-2,2,6-trimethyl-2H-pyran-3(4H)-one is a volatile organic compound found in various flowers, leaves, and stems.
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Related reactions
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Compound notes
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