CAS: 98-06-6
Name: tert-butylbenzene
SMILES:
CC(C)(C)C1=CC=CC=C1Molecular Processing
Molecular formula
C10H14
Molecular weight
134.22
Exact mass
134.1096
XLogP
2.98
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
45.14
Supplementary Information
InChIKey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
Synonyme
tert-Butylbenzene98-06-6T-BUTYLBENZENE2-Methyl-2-phenylpropaneBenzene, (1,1-dimethylethyl)-PseudobutylbenzenePhenyltrimethylmethaneTrimethylphenylmethaneBenzene, tert-butyl-Dimethylethylbenzene(1,1-dimethylethyl)benzeneDTXSID3047138M1R2NME7S2NSC-6557DTXCID1027138RefChem:6292202-632-41,1-Dimethylethylbenzene(tert-butyl)benzenet-butyl benzeneNSC 6557tert-butyl-benzeneMFCD00008816tertiary-ButylbenzeneDimethylethylbenzene (VAN)tert-butyl benzeneButylbenzene, tert-HSDB 5315EINECS 202-632-4UNII-M1R2NME7S2
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