[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate

C11H20O5S — CID 10706743

IUPAC[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate
SMILESC[C@@H](/C=C/COS(C)(=O)=O)OC1CCCCO1
InChIInChI=1S/C11H20O5S/c1-10(6-5-9-15-17(2,12)13)16-11-7-3-4-8-14-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+/t10-,11?/m0/s1
InChIKeyXOGLSEUBBPWAON-LFBVAPHSSA-N
MW264.34 g/mol
LogP1.45
Rot. Bonds6

About [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate

[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate (PubChem CID 10706743) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate
PubChem CID10706743
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate
SMILESC[C@@H](/C=C/COS(C)(=O)=O)OC1CCCCO1
InChIInChI=1S/C11H20O5S/c1-10(6-5-9-15-17(2,12)13)16-11-7-3-4-8-14-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+/t10-,11?/m0/s1
InChIKeyXOGLSEUBBPWAON-LFBVAPHSSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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': '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
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
4-(Oxan-2-yloxy)but-2-enyl methanesulfonate
CID 72727441
2-Hex-3-en-2-yloxyoxane
CID 76762446
5-(Oxan-2-yloxy)pent-2-enyl methanesulfonate
CID 85446180
[(Z)-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 87828867
1-(Oxan-2-yloxy)but-2-en-2-yl methanesulfonate
CID 90756358
7-(Oxan-2-yloxy)hept-2-enyl methanesulfonate
CID 92037953
2-[(Z,2R)-hex-3-en-2-yl]oxyoxane
CID 118517766

Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate?
The IUPAC name of [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate (CID 10706743) is [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate.
What is the SMILES notation for [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate?
The canonical SMILES for [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate is C[C@@H](/C=C/COS(C)(=O)=O)OC1CCCCO1.
What is the InChIKey of [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate?
The InChIKey is XOGLSEUBBPWAON-LFBVAPHSSA-N. The full InChI is InChI=1S/C11H20O5S/c1-10(6-5-9-15-17(2,12)13)16-11-7-3-4-8-14-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+/t10-,11?/m0/s1.
What are the key properties of [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate?
[(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate has a molecular weight of 264.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-(oxan-2-yloxy)pent-2-enyl] methanesulfonate is sourced from PubChem (CID 10706743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).