[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate

C8H18O7S2 — CID 166437846

IUPAC[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate
SMILESC[C@H](COC[C@@H](C)OS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C8H18O7S2/c1-7(14-16(3,9)10)5-13-6-8(2)15-17(4,11)12/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyMBNUOFPYZMIQIM-HTQZYQBOSA-N
MW290.36 g/mol
LogP-0.27
Rot. Bonds8

About [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate

[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate (PubChem CID 166437846) has the molecular formula C8H18O7S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate
PubChem CID166437846
Molecular FormulaC8H18O7S2
Molecular Weight290.36 g/mol
Exact Mass290.05
IUPAC Name[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate
SMILESC[C@H](COC[C@@H](C)OS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C8H18O7S2/c1-7(14-16(3,9)10)5-13-6-8(2)15-17(4,11)12/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyMBNUOFPYZMIQIM-HTQZYQBOSA-N
XLogP-0.27
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate?
The IUPAC name of [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate (CID 166437846) is [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate.
What is the SMILES notation for [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate?
The canonical SMILES for [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate is C[C@H](COC[C@@H](C)OS(C)(=O)=O)OS(C)(=O)=O.
What is the InChIKey of [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate?
The InChIKey is MBNUOFPYZMIQIM-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18O7S2/c1-7(14-16(3,9)10)5-13-6-8(2)15-17(4,11)12/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate?
[(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate has a molecular weight of 290.36 g/mol, XLogP of -0.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2R)-2-methylsulfonyloxypropoxy]propan-2-yl] methanesulfonate is sourced from PubChem (CID 166437846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).