[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate

C8H14O6S2 — CID 10754508

IUPAC[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1C=CC[C@H]1OS(C)(=O)=O
InChIInChI=1S/C8H14O6S2/c1-15(9,10)13-6-7-4-3-5-8(7)14-16(2,11)12/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyMTURGKZKWGONJF-HTQZYQBOSA-N
MW270.33 g/mol
LogP-0.12
Rot. Bonds5

About [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate

[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate (PubChem CID 10754508) has the molecular formula C8H14O6S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate
PubChem CID10754508
Molecular FormulaC8H14O6S2
Molecular Weight270.33 g/mol
Exact Mass270.02
IUPAC Name[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1C=CC[C@H]1OS(C)(=O)=O
InChIInChI=1S/C8H14O6S2/c1-15(9,10)13-6-7-4-3-5-8(7)14-16(2,11)12/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyMTURGKZKWGONJF-HTQZYQBOSA-N
XLogP-0.12
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate?
The IUPAC name of [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate (CID 10754508) is [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate.
What is the SMILES notation for [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate?
The canonical SMILES for [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1C=CC[C@H]1OS(C)(=O)=O.
What is the InChIKey of [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate?
The InChIKey is MTURGKZKWGONJF-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O6S2/c1-15(9,10)13-6-7-4-3-5-8(7)14-16(2,11)12/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate?
[(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate has a molecular weight of 270.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-5-methylsulfonyloxycyclopent-2-en-1-yl]methyl methanesulfonate is sourced from PubChem (CID 10754508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).