CCCCC(CC)C(=O)Cl
CAS: 760-67-8
Nombre: 2-ethylhexanoyl chloride
SMILES: CCCCC(CC)C(=O)Cl

Molecular Processing

Molecular formula
C8H15ClO
Molecular weight
162.66
Exact mass
162.0811
XLogP
2.97
TPSA
17.07
H-bond donors
0
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
44.17

Supplementary Information

InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N
Sinónimos
2-Ethylhexanoyl chlorideHexanoyl chloride, 2-ethyl-2-Ethylhexanoic acid chloride2-Ethylcaproyl chloride2-Ethylhexanoic acid, chlorideDTXSID5027308EINECS 212-081-1NSC 87892UNII-81065MP285NSC-878922-Ethylcaproic acid chlorideJ150.162CDTXCID50730881065MP285WFSGQBNCVASPMW-UHFFFAOYSA-EC 212-081-1RefChem:86966212-081-1InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3WFSGQBNCVASPMW-UHFFFAOYSA-N760-67-82-ethylhexanoylchlorideMFCD000007182-ethylhexanoylchloridCAS-760-67-82-ethyl-Hexanoyl chloride2-Ethyl-hexanoylchloride2-EHCLSCHEMBL823462-Ethylhexanoyl chloride, 98%
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