이름: (1-chloro-8,8-dimethylnonan-4-yl) acetate
SMILES:
CC(=O)OC(CCCC(C)(C)C)CCCClMolecular Processing
Molecular formula
C13H25ClO2
Molecular weight
248.79
Exact mass
248.1543
XLogP
4.15
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
68.81
Supplementary Information
InChIKey: MIUXYAZNLZPLCN-UHFFFAOYSA-N
동의어
SCHEMBL11514940MIUXYAZNLZPLCN-UHFFFAOYSA-N1-chloro-4-acetoxy-8,8-dimethylnonane
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