이름: 4-[3-(oxan-2-yloxy)prop-1-ynyl]oxan-4-ol
SMILES:
C1CCOC(C1)OCC#CC2(CCOCC2)OMolecular Processing
Molecular formula
C13H20O4
Molecular weight
240.3
Exact mass
240.1362
XLogP
1.07
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
62.32
Supplementary Information
InChIKey: WUEUVCJCMUASOH-UHFFFAOYSA-N
동의어
SCHEMBL9136079WUEUVCJCMUASOH-UHFFFAOYSA-N4-hydroxy-4-[3-(tetrahydropyran-2-yloxy)prop-1-ynyl]tetrahydropyran4-hydroxy-4-[3-(tetrahydropyran-2-yloxy)-prop-1-ynyl]tetrahydropyran
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