CC(CCCC1(CCCC2(CO1)OCCO2)C)O
Nombre: 5-(9-methyl-1,4,10-trioxaspiro[4.6]undecan-9-yl)pentan-2-ol
SMILES: CC(CCCC1(CCCC2(CO1)OCCO2)C)O

Molecular Processing

Molecular formula
C14H26O4
Molecular weight
258.36
Exact mass
258.1831
XLogP
2.24
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
68.37

Supplementary Information

InChIKey: MJYZIXXKHCBEQI-UHFFFAOYSA-N
Sinónimos
SCHEMBL11188702MJYZIXXKHCBEQI-UHFFFAOYSA-N6,6-ethylenedioxy-2-(4'-hydroxypentyl)-2-methyloxepane6,6-Ethylenedioxy- 2-(4'-hydroxypentyl)-2-methyloxepane
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