Basic information
- Standard SMILES
COC(=O)C1(c2ccc(OCCC(=O)OC(C)(C)C)cc2)CC1- InChIKey
GAMVAKDCTAPYGG-UHFFFAOYSA-N- Molecular formula
- C18H24O5
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16237386
Names & identifiers
- Preferred name
- Methyl 1-(4-(3-(tert-butoxy)-3-oxopropoxy)phenyl)cyclopropane-1-carboxylate
- IUPAC
- methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL1465706GAMVAKDCTAPYGG-UHFFFAOYSA-NMETHYL 1-(4-(3-(TERT-BUTOXY)-3-OXOPROPOXY)PHENYL)CYCLOPROPANE-1-CARBOXYLATE952664-58-3C931871-[4-(2-tert-butoxycarbonyl-ethoxy)-phenyl]-cyclopropanecarboxylic methyl ester1-[4-(2-tert-butoxycarbonyl-ethoxy)-phenyl]cyclopropanecarboxylic methyl ester
Database identifiers
- PubChem CID
- 59129236
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
20 records
Compound notes
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