[4-(4,4,5,5-Tetramethyl-(1,3]dioxolan-2-yl)-phenoxy]-acetic acid ethyl ester

HCID 66701800

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)COc1ccc(C2OC(C)(C)C(C)(C)O2)cc1
InChIKey: YDIKVPBJEJXONR-UHFFFAOYSA-N
Molecular formula: C17H24O5
Average molar mass: 308.4 g/mol

Names & identifiers

Preferred name: [4-(4,4,5,5-Tetramethyl-(1,3]dioxolan-2-yl)-phenoxy]-acetic acid ethyl ester
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenoxy]acetate

Names & synonyms

[4-(4,4,5,5-tetramethyl-(1,3]dioxolan-2-yl)-phenoxy]-acetic acid ethyl ester[4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-yl)-phenoxy]-acetic acid ethyl esterSCHEMBL488815YDIKVPBJEJXONR-UHFFFAOYSA-N

Database identifiers

PubChem CID: 66701800

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 367

Related reactions

8 records

New reaction record

HRID 425930As productuspto-grants-2012_01

HRID 425931As reactantuspto-grants-2012_01

HRID 816014As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 820090As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 822517As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1219361As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1766752As productuspto-grants-2007_06

HRID 1766753As reactantuspto-grants-2007_06

Compound notes

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