[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate

C11H20O4S — CID 142125230

IUPAC[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate
SMILESCS(=O)OC/C=C\CCOC1CCCCO1
InChIInChI=1S/C11H20O4S/c1-16(12)15-10-5-2-4-8-13-11-7-3-6-9-14-11/h2,5,11H,3-4,6-10H2,1H3/b5-2-
InChIKeyXUHFQYQKCOPNBY-DJWKRKHSSA-N
MW248.34 g/mol
LogP1.79
Rot. Bonds7

About [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate

[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate (PubChem CID 142125230) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate.

Molecular Properties

Compound Name[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate
PubChem CID142125230
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate
SMILESCS(=O)OC/C=C\CCOC1CCCCO1
InChIInChI=1S/C11H20O4S/c1-16(12)15-10-5-2-4-8-13-11-7-3-6-9-14-11/h2,5,11H,3-4,6-10H2,1H3/b5-2-
InChIKeyXUHFQYQKCOPNBY-DJWKRKHSSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
5-(Oxan-2-yloxy)pent-2-enyl methanesulfonate
CID 85446180
[(Z)-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 87828867
7-(Oxan-2-yloxy)hept-2-enyl methanesulfonate
CID 92037953
[(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 [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate?
The IUPAC name of [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate (CID 142125230) is [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate.
What is the SMILES notation for [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate?
The canonical SMILES for [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate is CS(=O)OC/C=C\CCOC1CCCCO1.
What is the InChIKey of [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate?
The InChIKey is XUHFQYQKCOPNBY-DJWKRKHSSA-N. The full InChI is InChI=1S/C11H20O4S/c1-16(12)15-10-5-2-4-8-13-11-7-3-6-9-14-11/h2,5,11H,3-4,6-10H2,1H3/b5-2-.
What are the key properties of [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate?
[(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate has a molecular weight of 248.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(oxan-2-yloxy)pent-2-enyl] methanesulfinate is sourced from PubChem (CID 142125230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).