C1CC2(CCC1(C3=CC=CC=C3)O)OCCO2
CAS: 94112-58-0
Name: 8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILES: C1CC2(CCC1(C3=CC=CC=C3)O)OCCO2

Molecular Processing

Molecular formula
C14H18O3
Molecular weight
234.29
Exact mass
234.1256
XLogP
2.19
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
63.44

Supplementary Information

InChIKey: JUTTXLGMDSGZCE-UHFFFAOYSA-N
Synonyme
8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol94112-58-0SCHEMBL612712DTXSID80566391JUTTXLGMDSGZCE-UHFFFAOYSA-NMFCD06410870AKOS015152153AC-13677DB-0146818-Phenyl-1,4-dioxa-spiro[4.5]decan-8-olH68959
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