1,3-Dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]benzene
Basic information
- CAS
3698-47-3- Standard SMILES
C=C(C)COc1cc(C)cc(C)c1- InChIKey
YRYNGTKOFKRMQS-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]benzene
- IUPAC
- 1,3-dimethyl-5-(2-methylprop-2-enoxy)benzene
Names & synonyms
1,3-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]benzene3698-47-3NSC86598NCIOpen2_001147DTXSID80958151NSC-86598AKOS008949169
Database identifiers
- CAS
3698-47-3- PubChem CID
- 257967
- DTXSID
DTXSID80958151
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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