Tert-butyl 2-(4-hydroxybutoxymethyl)-6-methylbenzoate

HCID 59341263
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc(COCCCCO)c1C(=O)OC(C)(C)C
InChIKey
HTXIHQFCRLWIPE-UHFFFAOYSA-N
Molecular formula
C17H26O4
Average molar mass
294.4 g/mol
Monoisotopic mass
294.18310931

Names & identifiers

Preferred name
Tert-butyl 2-(4-hydroxybutoxymethyl)-6-methylbenzoate
IUPAC
tert-butyl 2-(4-hydroxybutoxymethyl)-6-methylbenzoate

Names & synonyms

SCHEMBL3293955HTXIHQFCRLWIPE-UHFFFAOYSA-Ntert-butyl 2-(4-hydroxybutoxymethyl)-6-methylbenzoate

Database identifiers

PubChem CID
59341263

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

Loading…