Nombre: 4-(9-methyl-1,4,10-trioxaspiro[4.6]undecan-9-yl)butanal
SMILES:
CC1(CCCC2(CO1)OCCO2)CCCC=OMolecular Processing
Molecular formula
C13H22O4
Molecular weight
242.31
Exact mass
242.1518
XLogP
2.06
TPSA
44.76
H-bond donors
0
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
0.923
Molar refractivity
62.76
Supplementary Information
InChIKey: UGGZVHKWAHSSFM-UHFFFAOYSA-N
Sinónimos
SCHEMBL11185529UGGZVHKWAHSSFM-UHFFFAOYSA-N6,6-Ethylenedioxy-2-methyl-2-(4'-oxobutyl)-oxepane
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