COC(=O)CCCCCCCCCCCO
CAS: 71655-36-2
Name: methyl 12-hydroxydodecanoate
SMILES: COC(=O)CCCCCCCCCCCO

Molecular Processing

Molecular formula
C13H26O3
Molecular weight
230.35
Exact mass
230.1882
XLogP
3.05
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
65.27

Supplementary Information

InChIKey: WVYBBOXJKXXXOY-UHFFFAOYSA-N
Synonyme
Methyl 12-hydroxydodecanoate71655-36-2Dodecanoic acid, 12-hydroxy-, methyl ester12-hydroxydodecanoic acid methyl esterMFCD27964275methyl 12-hydroxydodecanateMethyl-12-hydroxy-dodecanoateHO-(CH2)11-CO2MeSCHEMBL1886420SCHEMBL7290236Methyl 12-hydroxydodecanoate #DTXSID10334949CHEBI:214087WCA65536EBC-618332SY328857EN300-7501763Z2718913196
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