Basic information
- CAS
22842-54-2- Standard SMILES
CC(C)=CC(=O)OC(C)(C)C- InChIKey
KNXISWJTUXKGCI-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- tert-Butyl 3-methyl-2-butenoate
- IUPAC
- tert-butyl 3-methylbut-2-enoate
- English name
- tert-butyl 3-methyl-2-butenoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
tert-butyl 3-methylbut-2-enoate22842-54-2tert-Butyl 3-methyl-2-butenoateEINECS 245-263-4NSC126829AI3-33655SCHEMBL510534SCHEMBL510535SCHEMBL812341t-butyl 3,3-dimethyl acrylateDTXSID90177391KNXISWJTUXKGCI-UHFFFAOYSA-N
Show more names
3,3-Dimethylacrylic acid tert-butyl ester3-Methyl-2-butenoic acid 1,1-dimethylethyl ester
AKOS018050262NSC 126829NSC-126829NS000272742-Butenoic acid, 3-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
22842-54-2- PubChem CID
- 89863
- DTXSID
DTXSID90177391- EC Number
- 245-263-4
- Nikkaji
- J286.341C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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