Basic information
- CAS
108546-98-1- Standard SMILES
C=CCC1(C(=O)OC(C)(C)C)CC1- InChIKey
IEGRERWWBGTPRK-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 1-prop-2-enylcyclopropane-1-carboxylate
Names & synonyms
108546-98-1Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl esterDTXSID30338101RefChem:336224DTXCID70289188tert-Butyl 1-allylcyclopropanecarboxylatetert-butyl 1-prop-2-enylcyclopropane-1-carboxylateMFCD22681658tert-Butyl 1-allylcyclopropane-1-carboxylateTERT-BUTYL 1-(PROP-2-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATESCHEMBL517398AC9374
Show more names
SY261648DB-115228tert-Butyl 1-allylcyclopropanecarboxylate #tert-Butyl1-allylcyclopropane-1-carboxylate1-Allyl-cyclopropanecarboxylic acid tert-butyl esterA1-11846Tert-Butyl 1-(prop-2-en-1-yl)cyclopropanecarboxylate
Database identifiers
- CAS
108546-98-1- PubChem CID
- 546367
- DTXSID
DTXSID30338101
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
19 records
Compound notes
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