Tert-butyl but-2-enoate

HCID 76732

Notes Reactions

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Basic information

CAS: 3246-27-3
Standard SMILES: CC=CC(=O)OC(C)(C)C
InChIKey: QHSPZGZEUDEIQM-UHFFFAOYSA-N
Molecular formula: C8H14O2
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.09937969

Names & identifiers

Preferred name: Tert-butyl but-2-enoate
IUPAC: tert-butyl but-2-enoate

Names & synonyms

tert-butyl but-2-enoate1,1-Dimethylethyl 2-butenoateSCHEMBL7203310SCHEMBL9483930SCHEMBL27297047DTXSID201307582DB-048220NS00046946

Database identifiers

CAS: 3246-27-3
PubChem CID: 76732
DTXSID: DTXSID201307582

Properties

Computed structural propertiesFilling in

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 140

Related reactions

2 records

New reaction record

HRID 137291 reaction equation

HRID 137291As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2136833 reaction equation

HRID 2136833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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