4,4,6-Trimethyl-2-prop-1-enyl-1,3-dioxane
Basic information
- CAS
6413-74-7- Standard SMILES
CC=CC1OC(C)CC(C)(C)O1- InChIKey
KYIPJDJFXLVIDL-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 4,4,6-Trimethyl-2-prop-1-enyl-1,3-dioxane
- IUPAC
- 4,4,6-trimethyl-2-prop-1-enyl-1,3-dioxane
Names & synonyms
DB-278974NS00047589
Database identifiers
- CAS
6413-74-7- PubChem CID
- 95419
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
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Compound notes
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