1-(tert-butoxy)-2-ethylhexane

1-(tert-butoxy)-2-ethylhexane

CAS: 83704-03-4

Formula: C12H26O

SMILES: CCCCC(CC)COC(C)(C)C

IUPAC: 1-(tert-butoxy)-2-ethylhexane

InChI: InChI=1/C12H26O/c1-6-8-9-11(7-2)10-13-12(3,4)5/h11H,6-10H2,1-5H3

Composition: C (77.35%), H (14.06%), O (8.59%)

Molar Mass: 186.339

Atom Count: 39

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	186.198365457
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JATPQYIRMHQKTK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.97
Topological Polar Surface Area	9.23
Polarizability	23.55
Ring Count	0
Rotatable Bond Count	7

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