[(2R)-2,3-dimethoxypropyl] methanesulfonate

C6H14O5S — CID 124582874

IUPAC[(2R)-2,3-dimethoxypropyl] methanesulfonate
SMILESCOC[C@H](COS(C)(=O)=O)OC
InChIInChI=1S/C6H14O5S/c1-9-4-6(10-2)5-11-12(3,7)8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyKIQXAOUPZXQXEB-ZCFIWIBFSA-N
MW198.24 g/mol
LogP-0.38
Rot. Bonds6

About [(2R)-2,3-dimethoxypropyl] methanesulfonate

[(2R)-2,3-dimethoxypropyl] methanesulfonate (PubChem CID 124582874) has the molecular formula C6H14O5S and a molecular weight of 198.24 g/mol. Its IUPAC name is [(2R)-2,3-dimethoxypropyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2,3-dimethoxypropyl] methanesulfonate
PubChem CID124582874
Molecular FormulaC6H14O5S
Molecular Weight198.24 g/mol
Exact Mass198.06
IUPAC Name[(2R)-2,3-dimethoxypropyl] methanesulfonate
SMILESCOC[C@H](COS(C)(=O)=O)OC
InChIInChI=1S/C6H14O5S/c1-9-4-6(10-2)5-11-12(3,7)8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyKIQXAOUPZXQXEB-ZCFIWIBFSA-N
XLogP-0.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-4-methylsulfonyloxy-3-phosphanyloxybutyl] methanesulfonate
CID 58779151
(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate
CID 167204103
[3-hydroxy-2-(hydroxymethyl)propyl] methanesulfonate
CID 71337924
1,2,5,6-tetramethoxyhexane
CID 18679814
[2-(fluoromethyl)-3-methylsulfonyloxypropyl] methanesulfonate
CID 135122818
2-propan-2-yloxybutyl methanesulfonate
CID 160973482
[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate
CID 164740036
[(2S)-2-(phosphanylamino)propyl] methanesulfonate
CID 129153366
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
3-methoxypropyl methanesulfonate
CID 11693963
[(2S)-3-hexadecoxy-2-methylsulfonyloxypropyl] methanesulfonate
CID 98094946
[(3S)-3-bromo-4-methylsulfonyloxybutyl] methanesulfonate
CID 10892715

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dimethoxypropyl] methanesulfonate?
The IUPAC name of [(2R)-2,3-dimethoxypropyl] methanesulfonate (CID 124582874) is [(2R)-2,3-dimethoxypropyl] methanesulfonate.
What is the SMILES notation for [(2R)-2,3-dimethoxypropyl] methanesulfonate?
The canonical SMILES for [(2R)-2,3-dimethoxypropyl] methanesulfonate is COC[C@H](COS(C)(=O)=O)OC.
What is the InChIKey of [(2R)-2,3-dimethoxypropyl] methanesulfonate?
The InChIKey is KIQXAOUPZXQXEB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14O5S/c1-9-4-6(10-2)5-11-12(3,7)8/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of [(2R)-2,3-dimethoxypropyl] methanesulfonate?
[(2R)-2,3-dimethoxypropyl] methanesulfonate has a molecular weight of 198.24 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dimethoxypropyl] methanesulfonate is sourced from PubChem (CID 124582874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).