CCCC(C)OC1=CC=C(C=C1)C=O
Name: 4-pentan-2-yloxybenzaldehyde
SMILES: CCCC(C)OC1=CC=C(C=C1)C=O

Molecular Processing

Molecular formula
C12H16O2
Molecular weight
192.26
Exact mass
192.115
XLogP
3.07
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.83

Supplementary Information

InChIKey: PQIWDFGVKCAFGJ-UHFFFAOYSA-N
Synonyme
SCHEMBL8970741SCHEMBL164594234-(1-methylbutyloxy)benzaldehydePQIWDFGVKCAFGJ-UHFFFAOYSA-N4-(1-methylbutyloxy) benzaldehyde
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