CAS: 18035-91-1
Name: 2-ethylhexanoate
SMILES:
CCCCC(CC)C(=O)[O-]Molecular Processing
Molecular formula
C8H15O2-
Molecular weight
143.21
Exact mass
143.1078
XLogP
0.95
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
38.31
Supplementary Information
InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-M
Synonyme
2-ethylhexanoate2-ethylcaproateDTXSID1089485618035-91-1RefChem:260675DTXCID801324419heptane-3-carboxylateheptane- 3-carboxylateBDBM50269966NS00128705
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