4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
Basic information
- CAS
648434-55-3- Standard SMILES
CCCC=CC1OCC(C)O1- InChIKey
WMWBRDXHCMVBJG-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
- IUPAC
- 4-methyl-2-pent-1-enyl-1,3-dioxolane
- English name
- 1,3-Dioxolane, 4-methyl-2-(1-pentenyl)- (9CI)
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
648434-55-3DTXSID508691844-Methyl-2-(1-penten-1-yl)-1,3-dioxolaneRefChem:525035DTXCID108172024-methyl-2-pent-1-enyl-1,3-dioxolane1,3-Dioxolane, 4-methyl-2-(1-pentenyl)-DB-2790554-METHYL-2-(PENT-1-EN-1-YL)-1,3-DIOXOLANE1,3-Dioxolane, 4-methyl-2-(1-penten-1-yl)-1,3-Dioxolane, 4-methyl-2-(1-pentenyl)- (9CI)
Database identifiers
- CAS
648434-55-3- PubChem CID
- 574707
- DTXSID
DTXSID50869184
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Odor
- mild green fruity apple
- Odor Type
- green
- LogP
- 2.17 · 2.17
- Substances Added to Food (formerly EAFUS)
- -2 · (+/-)-TRANS- AND CIS-2-HEXENAL PROPYLENE GLYCOL ACETAL
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Related reactions
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Compound notes
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