CCCCC(C)(C)C(C#C)OC1CCCCO1
CAS: 52418-99-2
Name: 2-(4,4-dimethyloct-1-yn-3-yloxy)oxane
SMILES: CCCCC(C)(C)C(C#C)OC1CCCCO1

Molecular Processing

Molecular formula
C15H26O2
Molecular weight
238.37
Exact mass
238.1933
XLogP
3.75
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.867
Molar refractivity
70.6

Supplementary Information

InChIKey: DAQQSPIJHFVOKW-UHFFFAOYSA-N
Synonyms
52418-99-22-[(4,4-DIMETHYLOCT-1-YN-3-YL)OXY]OXANESCHEMBL11098776DTXSID10561197DAQQSPIJHFVOKW-UHFFFAOYSA-N4,4-dimethyl-3-tetrahydropyranyloxy-1-octyne4,4- dimethyl-3-tetrahydropyranyloxy-1-octyne4,4-dimethyl-1-octyn-3-ol tetrahydropyran-2-yl ether
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