CCC(CC)CC1(CCCCC1)C(=O)O
CAS: 381209-09-2
Name: 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
SMILES: CCC(CC)CC1(CCCCC1)C(=O)O

Molecular Processing

Molecular formula
C13H24O2
Molecular weight
212.33
Exact mass
212.1776
XLogP
3.85
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
61.84

Supplementary Information

InChIKey: XRKJBJLXKLOLKS-UHFFFAOYSA-N
Synonyme
381209-09-21-(2-ethylbutyl)cyclohexanecarboxylic acid1-(2-ethyl-butyl)-cyclohexanecarboxylic acidEC 619-508-4DTXSID301036257RefChem:421975DTXCID801520465619-508-41-(2-ethylbutyl)cyclohexane-1-carboxylic AcidSCHEMBL727220XRKJBJLXKLOLKS-UHFFFAOYSA-N1-(2-ethylbutyl)cyclohexanecarboxylicacid1-(2-ethylbutyl) cyclohexanecarboxylic acidDB-362734NS00004462F50419
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