CAS: 5299-60-5
Name: ethyl 6-hydroxyhexanoate
SMILES:
CCOC(=O)CCCCCOMolecular Processing
Molecular formula
C8H16O3
Molecular weight
160.21
Exact mass
160.1099
XLogP
1.1
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
11
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
0.875
Molar refractivity
42.19
Supplementary Information
InChIKey: HYXRUZUPCFVWAH-UHFFFAOYSA-N
Synonyme
Ethyl 6-hydroxyhexanoate5299-60-5DTXSID60326814RefChem:138846DTXCID50277927962-755-0Hexanoic acid, 6-hydroxy-, ethyl esterMFCD000756016-hydroxyHexanoic acid ethyl ester6-hydroxy-hexanoic acid ethyl ester5-Ethoxycarbonylpentan-1-ol; 6-Hydroxyhexanoic Acid Ethyl Ester; Ethyl 6-Hydroxycaproate; Ethyl epsilon-Hydroxycaproate; NSC 617304NSC617304ethyl-6-hydroxyhexanoateethyl 6-hydroxy-hexanoate5-ethoxycarbonyl-1-pentanolSCHEMBL247007SCHEMBL632459SCHEMBL632460orb2664776SCHEMBL2076370Ethyl 6-hydroxyhexanoate, 97%SCHEMBL10405617HYXRUZUPCFVWAH-UHFFFAOYSA-NFAA29960AKOS009156692CS-W023138NSC-617304CS-12600DA-19186SY116371
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