C1COCCC1C2(CCC3(CC2)OCCO3)C#N
CAS: 1202462-27-8
이름: 8-(oxan-4-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILES: C1COCCC1C2(CCC3(CC2)OCCO3)C#N

Molecular Processing

Molecular formula
C14H21NO3
Molecular weight
251.33
Exact mass
251.1521
XLogP
2.24
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
64.69

Supplementary Information

InChIKey: XARBJNQGVCWPKA-UHFFFAOYSA-N
동의어
1202462-27-88-(Tetrahydropyran-4-yl)-1,4-dioxa-spiro[4.5]decane-8-carbonitrileSCHEMBL1551303XARBJNQGVCWPKA-UHFFFAOYSA-NDA-35539
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