CC1(CCCC2(CO1)OCCO2)CCCCO
الاسم: 4-(9-methyl-1,4,10-trioxaspiro[4.6]undecan-9-yl)butan-1-ol
SMILES: CC1(CCCC2(CO1)OCCO2)CCCCO

Molecular Processing

Molecular formula
C13H24O4
Molecular weight
244.33
Exact mass
244.1675
XLogP
1.85
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
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
1
Molar refractivity
63.78

Supplementary Information

InChIKey: STNPCTINKSLVBD-UHFFFAOYSA-N
مرادفات
SCHEMBL11182563STNPCTINKSLVBD-UHFFFAOYSA-N6,6-Ethylenedioxy-2-(4'-hydroxybutyl)-2-methyloxepane
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