[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate

C7H12O4S — CID 101108831

IUPAC[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C7H12O4S/c1-12(9,10)11-5-6-3-2-4-7(6)8/h2-3,6-8H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeyGYQUIODQUWRJII-BQBZGAKWSA-N
MW192.24 g/mol
LogP-0.10
Rot. Bonds3

About [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate

[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate (PubChem CID 101108831) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate
PubChem CID101108831
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C7H12O4S/c1-12(9,10)11-5-6-3-2-4-7(6)8/h2-3,6-8H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeyGYQUIODQUWRJII-BQBZGAKWSA-N
XLogP-0.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate?
The IUPAC name of [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate (CID 101108831) is [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate.
What is the SMILES notation for [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate?
The canonical SMILES for [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@@H]1C=CC[C@@H]1O.
What is the InChIKey of [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate?
The InChIKey is GYQUIODQUWRJII-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(9,10)11-5-6-3-2-4-7(6)8/h2-3,6-8H,4-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate?
[(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate has a molecular weight of 192.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-5-hydroxycyclopent-2-en-1-yl]methyl methanesulfonate is sourced from PubChem (CID 101108831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).