Basic information
- CAS
170117-99-4- Standard SMILES
C=CCC1(OCC)C(=O)C(C)=C1OCC- InChIKey
QQGHTDGBBVVOQI-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 4-Allyl-3,4-diethoxy-2-methylcyclobut-2-enone
- IUPAC
- 3,4-diethoxy-2-methyl-4-prop-2-enylcyclobut-2-en-1-one
- English name
- 2-Cyclobuten-1-one,3,4-diethoxy-2-methyl-4-(2-propenyl)-(9CI)
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
170117-99-44-Allyl-3,4-diethoxy-2-methylcyclobut-2-enone3,4-diethoxy-2-methyl-4-prop-2-enylcyclobut-2-en-1-one2-Cyclobuten-1-one,3,4-diethoxy-2-methyl-4-(2-propenyl)-(9CI)DB-2812992-CYCLOBUTEN-1-ONE, 3,4-DIETHOXY-2-METHYL-4-(2-PROPENYL)-2-Cyclobuten-1-one, 3,4-diethoxy-2-methyl-4-(2-propen-1-yl)-
Database identifiers
- CAS
170117-99-4- PubChem CID
- 15272188
- Nikkaji
- J680.625B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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