Nombre: 12,12-diethoxydodec-1-yne
SMILES:
CCOC(CCCCCCCCCC#C)OCCMolecular Processing
Molecular formula
C16H30O2
Molecular weight
254.41
Exact mass
254.2246
XLogP
4.53
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
13
Heavy atoms
18
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
0.875
Molar refractivity
77.43
Supplementary Information
InChIKey: KXSQIMBVPQDNDX-UHFFFAOYSA-N
Sinónimos
12,12-diethoxydodec-1-yne1,1-diethoxy-11-dodecyneSCHEMBL595306KXSQIMBVPQDNDX-UHFFFAOYSA-N
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