C1CC1CC2(CCC3(CC2)OCCO3)C=O
Name: 8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILES: C1CC1CC2(CCC3(CC2)OCCO3)C=O

Molecular Processing

Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
2.29
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
58.94

Supplementary Information

InChIKey: FHKAUXSDBPBMCN-UHFFFAOYSA-N
Synonyme
SCHEMBL1550459FHKAUXSDBPBMCN-UHFFFAOYSA-N8-cyclopropylmethyl-1,4-dioxa-spiro[4.5]decane-8-carbaldehyde
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