5-(oxan-2-yloxy)pent-2-enyl methanesulfonate

C11H20O5S — CID 85446180

IUPAC5-(oxan-2-yloxy)pent-2-enyl methanesulfonate
SMILESCS(=O)(=O)OCC=CCCOC1CCCCO1
InChIInChI=1S/C11H20O5S/c1-17(12,13)16-10-5-2-4-8-14-11-7-3-6-9-15-11/h2,5,11H,3-4,6-10H2,1H3
InChIKeyFVHOUNSLGIVZIF-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.45
Rot. Bonds7

About 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate

5-(oxan-2-yloxy)pent-2-enyl methanesulfonate (PubChem CID 85446180) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate.

Molecular Properties

Compound Name5-(oxan-2-yloxy)pent-2-enyl methanesulfonate
PubChem CID85446180
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name5-(oxan-2-yloxy)pent-2-enyl methanesulfonate
SMILESCS(=O)(=O)OCC=CCCOC1CCCCO1
InChIInChI=1S/C11H20O5S/c1-17(12,13)16-10-5-2-4-8-14-11-7-3-6-9-15-11/h2,5,11H,3-4,6-10H2,1H3
InChIKeyFVHOUNSLGIVZIF-UHFFFAOYSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 14107629
[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfonate
CID 15693828
[4-(Oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate
CID 19047295
[(1R,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate
CID 53690530
4-(Oxan-2-yloxy)but-2-enyl methanesulfonate
CID 72727441
[(Z)-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 87828867
7-(Oxan-2-yloxy)hept-2-enyl methanesulfonate
CID 92037953
[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate
CID 142125230
[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate
CID 10706743
[(Z)-5-(oxan-2-yloxy)pent-3-enyl] methanesulfonate
CID 10754101
[(Z)-9-(oxan-2-yloxy)non-4-enyl] methanesulfonate
CID 10958194
[(6Z,9Z)-14-(oxan-2-yloxy)tetradeca-6,9-dien-4-yl] methanesulfonate
CID 11111886

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate?
The IUPAC name of 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate (CID 85446180) is 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate.
What is the SMILES notation for 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate?
The canonical SMILES for 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate is CS(=O)(=O)OCC=CCCOC1CCCCO1.
What is the InChIKey of 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate?
The InChIKey is FVHOUNSLGIVZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-17(12,13)16-10-5-2-4-8-14-11-7-3-6-9-15-11/h2,5,11H,3-4,6-10H2,1H3.
What are the key properties of 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate?
5-(oxan-2-yloxy)pent-2-enyl methanesulfonate has a molecular weight of 264.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)pent-2-enyl methanesulfonate is sourced from PubChem (CID 85446180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).