4-(3-tert-Butoxycarbonyl-propoxy)-3-methyl-benzoic Acid Methyl Ester

HCID 57555422
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Basic information

Standard SMILES
COC(=O)c1ccc(OCCCC(=O)OC(C)(C)C)c(C)c1
InChIKey
OLFRLOGTIUVYHY-UHFFFAOYSA-N
Molecular formula
C17H24O5
Average molar mass
308.4 g/mol

Names & identifiers

Preferred name
4-(3-tert-Butoxycarbonyl-propoxy)-3-methyl-benzoic Acid Methyl Ester
IUPAC
methyl 3-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]benzoate

Names & synonyms

SCHEMBL1495966OLFRLOGTIUVYHY-UHFFFAOYSA-N4-(3-tert-Butoxycarbonyl-propoxy)-3-methyl-benzoic Acid Methyl Ester

Database identifiers

PubChem CID
57555422

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
22

Related reactions

4 records
New reaction record

Compound notes

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4-(3-tert-Butoxycarbonyl-propoxy)-3-methyl-benzoic Acid Methyl Ester (HCID 57555422)｜Huagongshe