3-deuterio-2,3-dihydrofuran-5-olate

C4H5O2- — CID 154603709

IUPAC3-deuterio-2,3-dihydrofuran-5-olate
SMILES[2H]C1C=C([O-])OC1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h2,5H,1,3H2/p-1/i1D
InChIKeyYKCIYANSMGFYDE-MICDWDOJSA-M
MW86.09 g/mol
LogP-0.39
Rot. Bonds

About 3-deuterio-2,3-dihydrofuran-5-olate

3-deuterio-2,3-dihydrofuran-5-olate (PubChem CID 154603709) has the molecular formula C4H5O2- and a molecular weight of 86.09 g/mol. Its IUPAC name is 3-deuterio-2,3-dihydrofuran-5-olate.

Molecular Properties

Compound Name3-deuterio-2,3-dihydrofuran-5-olate
PubChem CID154603709
Molecular FormulaC4H5O2-
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name3-deuterio-2,3-dihydrofuran-5-olate
SMILES[2H]C1C=C([O-])OC1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h2,5H,1,3H2/p-1/i1D
InChIKeyYKCIYANSMGFYDE-MICDWDOJSA-M
XLogP-0.39
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2,3-dihydrofuran-5-olate?
The IUPAC name of 3-deuterio-2,3-dihydrofuran-5-olate (CID 154603709) is 3-deuterio-2,3-dihydrofuran-5-olate.
What is the SMILES notation for 3-deuterio-2,3-dihydrofuran-5-olate?
The canonical SMILES for 3-deuterio-2,3-dihydrofuran-5-olate is [2H]C1C=C([O-])OC1.
What is the InChIKey of 3-deuterio-2,3-dihydrofuran-5-olate?
The InChIKey is YKCIYANSMGFYDE-MICDWDOJSA-M. The full InChI is InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h2,5H,1,3H2/p-1/i1D.
What are the key properties of 3-deuterio-2,3-dihydrofuran-5-olate?
3-deuterio-2,3-dihydrofuran-5-olate has a molecular weight of 86.09 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2,3-dihydrofuran-5-olate is sourced from PubChem (CID 154603709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).