CCCC#CC1CCC2(CC1)OCCO2
Name: 8-pent-1-ynyl-1,4-dioxaspiro[4.5]decane
SMILES: CCCC#CC1CCC2(CC1)OCCO2

Molecular Processing

Molecular formula
C13H20O2
Molecular weight
208.3
Exact mass
208.1463
XLogP
2.72
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
59.28

Supplementary Information

InChIKey: PFMAHTFPRKOLNO-UHFFFAOYSA-N
Synonyme
SCHEMBL9458469PFMAHTFPRKOLNO-UHFFFAOYSA-N1,1-ethylenedioxy-4-(1-pentynyl)cyclohexane1,1-ethylenedioxy- 4-(1-pentynyl)cyclohexane
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