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1-(tert-butoxy)-4-ethylbenzene

1-(tert-butoxy)-4-ethylbenzene

CAS: 215394-81-3

Formula: C12H18O

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

IUPAC: 1-(tert-butoxy)-4-ethylbenzene

InChI: InChI=1S/C12H18O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h6-9H,5H2,1-4H3

Composition: C (80.85%), H (10.18%), O (8.97%)

Molar Mass: 178.275

Atom Count: 31

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.1357652
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WOZHXKGCLAHIIB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.97
Topological Polar Surface Area 9.23
Polarizability 22.01
Ring Count 1
Rotatable Bond Count 3

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