CC1=CC=CC=C1.CC(C)(C)O
Name: 2-methylpropan-2-ol;toluene
SMILES: CC1=CC=CC=C1.CC(C)(C)O

Molecular Processing

Molecular formula
C11H18O
Molecular weight
166.26
Exact mass
166.1358
XLogP
2.77
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
53.15

Supplementary Information

InChIKey: JAWKOSRQDZQJMU-UHFFFAOYSA-N
Synonyme
toluene tBuOHt-BuOH toluenet-butanol toluenetoluene t-BuOHtoluene t-butanoltert-BuOH toluenetert-butanol toluenetoluene tert-butanoltoluene tert. butanoltoluene tert-butyl alcoholSCHEMBL2077221JAWKOSRQDZQJMU-UHFFFAOYSA-N
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