2-methyl-4-[(4-methylbenzenesulfonyl)oxy]butan-2-ol

2-methyl-4-[(4-methylbenzenesulfonyl)oxy]butan-2-ol

CAS: 17689-66-6

Formula: C12H18O4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)O

IUPAC: 2-methyl-4-[(4-methylbenzenesulfonyl)oxy]butan-2-ol

InChI: InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-8-12(2,3)13/h4-7,13H,8-9H2,1-3H3

Composition: C (55.79%), H (7.02%), O (24.77%), S (12.41%)

Molar Mass: 258.33

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.092580234
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GGLYIKZLOPXYOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.42
Topological Polar Surface Area	63.6
Polarizability	26.77
Ring Count	1
Rotatable Bond Count	5

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