1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate

C11H16O5S — CID 170430190

IUPAC1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OC(CC1C=CCO1)C1C=CCO1
InChIInChI=1S/C11H16O5S/c1-17(12,13)16-11(10-5-3-7-15-10)8-9-4-2-6-14-9/h2-5,9-11H,6-8H2,1H3
InChIKeyRTAITOLCPCHLCY-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.63
Rot. Bonds5

About 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate

1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate (PubChem CID 170430190) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
PubChem CID170430190
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OC(CC1C=CCO1)C1C=CCO1
InChIInChI=1S/C11H16O5S/c1-17(12,13)16-11(10-5-3-7-15-10)8-9-4-2-6-14-9/h2-5,9-11H,6-8H2,1H3
InChIKeyRTAITOLCPCHLCY-UHFFFAOYSA-N
XLogP0.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The IUPAC name of 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate (CID 170430190) is 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate.
What is the SMILES notation for 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The canonical SMILES for 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate is CS(=O)(=O)OC(CC1C=CCO1)C1C=CCO1.
What is the InChIKey of 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The InChIKey is RTAITOLCPCHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-17(12,13)16-11(10-5-3-7-15-10)8-9-4-2-6-14-9/h2-5,9-11H,6-8H2,1H3.
What are the key properties of 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate has a molecular weight of 260.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate is sourced from PubChem (CID 170430190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).