2,2-Dimethyl 3-(3-isobutoxy 3-oxo-1-propenyl) cyclopropane-1-carboxylic acid

HCID 54548347
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Basic information

Standard SMILES
CC(C)COC(=O)C=CC1C(C(=O)O)C1(C)C
InChIKey
ZIDVVPGXZMJAHF-UHFFFAOYSA-N
Molecular formula
C13H20O4
Average molar mass
240.29 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl 3-(3-isobutoxy 3-oxo-1-propenyl) cyclopropane-1-carboxylic acid
IUPAC
2,2-dimethyl-3-[3-(2-methylpropoxy)-3-oxoprop-1-enyl]cyclopropane-1-carboxylic acid

Names & synonyms

SCHEMBL10547423ZIDVVPGXZMJAHF-UHFFFAOYSA-N2,2-dimethyl 3-(3-isobutoxy 3-oxo-1-propenyl) cyclopropane-1-carboxylic acid

Database identifiers

PubChem CID
54548347

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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