cis-5-Allyl-2-methyl-5-(1-propoxyethyl)-1,3-dioxane
Basic information
- CAS
22644-69-5- Standard SMILES
C=CCC1(C(C)OCCC)COC(C)OC1- InChIKey
CYLVRKPTQZQIGD-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- cis-5-Allyl-2-methyl-5-(1-propoxyethyl)-1,3-dioxane
- IUPAC
- 2-methyl-5-prop-2-enyl-5-(1-propoxyethyl)-1,3-dioxane
Names & synonyms
22644-69-5cis-5-Allyl-2-methyl-5-(1-propoxyethyl)-1,3-dioxanem-DIOXANE, 5-ALLYL-2-METHYL-5-(1-PROPOXYETHYL)-, (Z)-DTXSID301384165
Database identifiers
- CAS
22644-69-5- PubChem CID
- 31458
- DTXSID
DTXSID301384165- Nikkaji
- J69.178J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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