[(2R)-oxan-2-yl]methyl methanesulfonate

C7H14O4S — CID 86621777

IUPAC[(2R)-oxan-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CCCCO1
InChIInChI=1S/C7H14O4S/c1-12(8,9)11-6-7-4-2-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyMFCJQPGABLDBKD-SSDOTTSWSA-N
MW194.25 g/mol
LogP0.53
Rot. Bonds3

About [(2R)-oxan-2-yl]methyl methanesulfonate

[(2R)-oxan-2-yl]methyl methanesulfonate (PubChem CID 86621777) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is [(2R)-oxan-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-oxan-2-yl]methyl methanesulfonate
PubChem CID86621777
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name[(2R)-oxan-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CCCCO1
InChIInChI=1S/C7H14O4S/c1-12(8,9)11-6-7-4-2-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyMFCJQPGABLDBKD-SSDOTTSWSA-N
XLogP0.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl methanesulfonate
CID 10714329
[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
CID 58665661
3-(oxan-2-ylmethoxy)cyclohexan-1-one
CID 79618470
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
CID 57493581
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
CID 40895496
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
2-(oxan-2-ylmethyl)oxane
CID 67860654
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxan-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-oxan-2-yl]methyl methanesulfonate (CID 86621777) is [(2R)-oxan-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-oxan-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-oxan-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1CCCCO1.
What is the InChIKey of [(2R)-oxan-2-yl]methyl methanesulfonate?
The InChIKey is MFCJQPGABLDBKD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O4S/c1-12(8,9)11-6-7-4-2-3-5-10-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-oxan-2-yl]methyl methanesulfonate?
[(2R)-oxan-2-yl]methyl methanesulfonate has a molecular weight of 194.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 86621777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).