Basic information
- Standard SMILES
CC1(O)CC(C(=O)OCc2ccccc2)C1- InChIKey
AFFVTFZFBYSFES-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-hydroxy-3-methylcyclobutanecarboxylate
- IUPAC
- benzyl 3-hydroxy-3-methylcyclobutane-1-carboxylate
Names & synonyms
benzyl 3-hydroxy-3-methylcyclobutanecarboxylate1455037-38-3benzyl 3-hydroxy-3-methylcyclobutane-1-carboxylate1375746-91-0Benzyl trans-3-hydroxy-3-methylcyclobutane-1-carboxylate1303609-20-2Benzyl cis-3-hydroxy-3-methylcyclobutane-1-carboxylatebenzyl (1r,3s)-3-hydroxy-3-methylcyclobutane-1-carboxylatebenzyl (1s,3r)-3-hydroxy-3-methylcyclobutane-1-carboxylateRel-benzyl (1s,3s)-3-hydroxy-3-methylcyclobutane-1-carboxylatetrans-Benzyl 3-hydroxy-3-methylcyclobutanecarboxylateSCHEMBL1907855
Show more names
SCHEMBL6758987SCHEMBL6876401AFFVTFZFBYSFES-UHFFFAOYSA-NMFCD28952830AKOS027423681SY324662DB-151949CS-0129581
Database identifiers
- PubChem CID
- 58254352
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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