CCC(CC)C(=O)O
CAS: 88-09-5
Name: 2-ethylbutanoic acid
SMILES: CCC(CC)C(=O)O

Molecular Processing

Molecular formula
C6H12O2
Molecular weight
116.16
Exact mass
116.0837
XLogP
1.51
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
31.71

Supplementary Information

InChIKey: OXQGTIUCKGYOAA-UHFFFAOYSA-N
Synonyms
2-ETHYLBUTYRIC ACID2-Ethylbutanoic acid88-09-5Diethylacetic acidButanoic acid, 2-ethyl-3-Pentanecarboxylic acidAcetic acid, diethyl-2-Ethyl butanoic acidButyric acid, 2-ethyl-alpha-Ethylbutyric acidalpha-Ethylbuytyric acidKyselina diethyloctovaFEMA No. 2429.alpha.-Ethylbutyric acidNSC 11765Kyselina diethyloctova [Czech]DTXSID2041418EINECS 201-796-4IDY8B990KEBRN 1098634AI3-04629NSC-11765DIETHYLACETIC ACID [MI]DTXCID00214182-ETHYLBUTYRIC ACID [FCC]2-ETHYLBUTYRIC ACID [FHFI]4-02-00-00950 (Beilstein Handbook Reference)2Ethylbutanoic acid2Ethyl butanoic acidAcetic acid, diethyl
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