Basic information
- CAS
100520-29-4- Standard SMILES
COC(OC)C(C)Cc1ccccc1- InChIKey
UMHCGZYLEPSTCY-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- (3,3-Dimethoxy-2-methylpropyl)benzene
- IUPAC
- (3,3-dimethoxy-2-methylpropyl)benzene
Names & synonyms
(3,3-Dimethoxy-2-methylpropyl)benzene100520-29-4RefChem:207325SCHEMBL6616395SCHEMBL15073423DTXSID501285741
Database identifiers
- CAS
100520-29-4- PubChem CID
- 85520482
- DTXSID
DTXSID501285741- Nikkaji
- J2.671.559H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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