CCCCC(CC)C(=O)O
CAS: 149-57-5
Name: 2-ethylhexanoic acid
SMILES: CCCCC(CC)C(=O)O

Molecular Processing

Molecular formula
C8H16O2
Molecular weight
144.21
Exact mass
144.115
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
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
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.94

Supplementary Information

InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
Synonyms
2-ETHYLHEXANOIC ACID149-57-52-Ethylcaproic acidHexanoic acid, 2-ethyl-Ethylhexanoic acidEthylhexoic acid2-Ethylhexoic acidButylethylacetic acid2-Butylbutanoic acid3-Heptanecarboxylic acid2-ethyl-hexoic acidalpha-Ethylcaproic acidDTXSID90252932-Ethyl-1-hexanoic acid01MU2J7VVZalpha-Ethylhexanoic acidNSC-8881DTXCID805293RefChem:909811(+-)-2-ETHYLHEXANOIC ACID205-743-6Ethyl hexanoic acid2-ethyl hexanoic acid2-ethylhexanoicacid2-ethyl-hexanoic acidEthyl hexanoic acid, 2-alpha-ethyl caproic acidMFCD00002675.alpha.-Ethylcaproic acid2-Ethylhexansaeure
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