1,3,5-tri-tert-butyl-2-methoxybenzene

1,3,5-tri-tert-butyl-2-methoxybenzene

CAS: 3975-80-2

Formula: C19H32O

SMILES: COC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C

IUPAC: 1,3,5-tri-tert-butyl-2-methoxybenzene

InChI: InChI=1S/C19H32O/c1-17(2,3)13-11-14(18(4,5)6)16(20-10)15(12-13)19(7,8)9/h11-12H,1-10H3

Composition: C (82.55%), H (11.67%), O (5.79%)

Molar Mass: 276.464

Atom Count: 52

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.24531565
Formal Charge	0
FSP3	0.68
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WJLKFJCHFNSJQB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	88.52
Topological Polar Surface Area	9.23
Polarizability	34.77
Ring Count	1
Rotatable Bond Count	4

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