Basic information
- CAS
1920-21-4- Standard SMILES
CC1=COC(C)(C=O)CC1- InChIKey
DYVJZCIYRQUXBA-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde
- IUPAC
- 2,5-dimethyl-3,4-dihydropyran-2-carbaldehyde
- English name
- 3,4-dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
1920-21-43,4-Dihydro-2,5-dimethyl-2H-pyran-2-carbaldehydeDTXSID401031236RefChem:1065745DTXCID801516248217-647-1Methacrolein dimerMethacrylaldehyde dimer2,5-dimethyl-3,4-dihydropyran-2-carbaldehyde2,5-Dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde2H-Pyran-2-carboxaldehyde, 3,4-dihydro-2,5-dimethyl-2,3-Dihydro-2,5-dimethyl-2-formyl-1,4-pyran
Show more names
2H-Pyran-2-carboxaldehyde,3,4-dihydro-2,5-dimethyl-
1,4-Pyran, 2,3-dihydro-2,5-dimethyl-2-formyl-3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carboxaldehydeEINECS 217-647-1NSC 44984BRN 01145465-17-09-00170 (Beilstein Handbook Reference)SCHEMBL6142125NSC44984
Database identifiers
- CAS
1920-21-4- PubChem CID
- 15977
- DTXSID
DTXSID401031236- EC Number
- 217-647-1
- Nikkaji
- J24.830D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- -64.15 °C · -64.15°C
- Boiling point
- 196.69 °C · 196.69°C (rough estimate)
- Density
- 1.0003 · 1.0003 (rough estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- LogP
- 0.408 · 0.408 (est)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
2 records
Compound notes
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