C#CC(C)(CCC(C)=C(C)C)OC(C)=O
Name: 3,6,7-trimethyl-6-octen-1-in-3-yl acetate
SMILES: C#CC(C)(CCC(C)=C(C)C)OC(C)=O

Molecular Processing

Molecular formula
C13H20O2
Molecular weight
208.3
Exact mass
208.1463
XLogP
3.08
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
62.29

Supplementary Information

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