Name: 3-(4-methoxyoxan-4-yl)prop-2-yn-1-ol
SMILES:
COC1(CCOCC1)C#CCOMolecular Processing
Molecular formula
C9H14O3
Molecular weight
170.21
Exact mass
170.0943
XLogP
0.18
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
44.65
Supplementary Information
InChIKey: MGSOIQPDXVVXEH-UHFFFAOYSA-N
Synonyme
SCHEMBL9135293MGSOIQPDXVVXEH-UHFFFAOYSA-N4-methoxy-4-(3-hydroxyprop-1 -ynyl)tetrahydropyran4-methoxy-4-(3-hydroxyprop-1-ynyl)tetrahydropyran
An 7 Reaktionen beteiligt→