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1-tert-butyl-3-ethylbenzene

1-tert-butyl-3-ethylbenzene

CAS: 14411-56-4

Formula: C12H18

SMILES: CCC1=CC=CC(=C1)C(C)(C)C

IUPAC: 1-tert-butyl-3-ethylbenzene

InChI: InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3

Composition: C (88.82%), H (11.18%)

Molar Mass: 162.276

Atom Count: 30

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.1408505796
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey MUJPTTGNHRHIPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.37
Topological Polar Surface Area 0
Polarizability 21.31
Ring Count 1
Rotatable Bond Count 2

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