[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate

C7H12O4S — CID 23239704

IUPAC[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate
SMILESC[C@H]1C=C[C@@H](COS(C)(=O)=O)O1
InChIInChI=1S/C7H12O4S/c1-6-3-4-7(11-6)5-10-12(2,8)9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyNMVZZDOFGWPHMI-BQBZGAKWSA-N
MW192.24 g/mol
LogP0.31
Rot. Bonds3

About [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate

[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate (PubChem CID 23239704) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate
PubChem CID23239704
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate
SMILESC[C@H]1C=C[C@@H](COS(C)(=O)=O)O1
InChIInChI=1S/C7H12O4S/c1-6-3-4-7(11-6)5-10-12(2,8)9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyNMVZZDOFGWPHMI-BQBZGAKWSA-N
XLogP0.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
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 [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate?
The IUPAC name of [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate (CID 23239704) is [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate is C[C@H]1C=C[C@@H](COS(C)(=O)=O)O1.
What is the InChIKey of [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate?
The InChIKey is NMVZZDOFGWPHMI-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O4S/c1-6-3-4-7(11-6)5-10-12(2,8)9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate?
[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate has a molecular weight of 192.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate is sourced from PubChem (CID 23239704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).