2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate

C8H14O4S — CID 87249231

IUPAC2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate
SMILESCC(COS(C)(=O)=O)C1C=CCO1
InChIInChI=1S/C8H14O4S/c1-7(6-12-13(2,9)10)8-4-3-5-11-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVVXLOFAKFSFP-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.55
Rot. Bonds4

About 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate

2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate (PubChem CID 87249231) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate
PubChem CID87249231
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate
SMILESCC(COS(C)(=O)=O)C1C=CCO1
InChIInChI=1S/C8H14O4S/c1-7(6-12-13(2,9)10)8-4-3-5-11-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVVXLOFAKFSFP-UHFFFAOYSA-N
XLogP0.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.55
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 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate (CID 87249231) is 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate is CC(COS(C)(=O)=O)C1C=CCO1.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate?
The InChIKey is JJVVXLOFAKFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-7(6-12-13(2,9)10)8-4-3-5-11-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate?
2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate has a molecular weight of 206.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate is sourced from PubChem (CID 87249231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).