Methyl 3-(pentyloxy)benzoate

HCID 18342002
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Basic information

Standard SMILES
CCCCCOc1cccc(C(=O)OC)c1
InChIKey
VLGBMUPRDSTBKL-UHFFFAOYSA-N
Molecular formula
C13H18O3
Average molar mass
222.28 g/mol
Monoisotopic mass
222.12559443

Names & identifiers

Preferred name
Methyl 3-(pentyloxy)benzoate
IUPAC
methyl 3-pentoxybenzoate

Names & synonyms

methyl 3-(pentyloxy)benzoate132858-17-4SCHEMBL73224823-amyloxybenzoic acid methyl esterAKOS022397015Benzoic acid, 3-pentyloxy-, methyl esterDB-109272

Database identifiers

PubChem CID
18342002
Nikkaji
J3.473.837H

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
16

Experimental & physicochemical properties

Kovats Retention Index1738

Related reactions

4 records
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Compound notes

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