CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC
CAS: 40654-37-3
Name: methyl 4-octadecoxybenzoate
SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC

Molecular Processing

Molecular formula
C26H44O3
Molecular weight
404.64
Exact mass
404.329
XLogP
8.11
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
19
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.731
Molar refractivity
122.82

Supplementary Information

InChIKey: NRYXPVLDVKIIMD-UHFFFAOYSA-N
Synonyms
METHYL 4-(OCTADECYLOXY)BENZOATERefChem:816072653-287-5Methyl-4-octadecyloxy-benzoate40654-37-3methyl 4-octadecyloxybenzoateSCHEMBL7171003CHEMBL3273799DTXSID20400548NRYXPVLDVKIIMD-UHFFFAOYSA-NAKOS024430407
View source →
Involved in 16 reactions→

Extended Search

Substructure Search→Similarity Search→