prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate

C8H8O6 — CID 176729362

IUPACprop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate
SMILESC=CC(=O)OOC(=O)C1=COCC1O
InChIInChI=1S/C8H8O6/c1-2-7(10)13-14-8(11)5-3-12-4-6(5)9/h2-3,6,9H,1,4H2
InChIKeyWGVJBUDOTOKUMH-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.55
Rot. Bonds2

About prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate

prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate (PubChem CID 176729362) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate.

Molecular Properties

Compound Nameprop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate
PubChem CID176729362
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Nameprop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate
SMILESC=CC(=O)OOC(=O)C1=COCC1O
InChIInChI=1S/C8H8O6/c1-2-7(10)13-14-8(11)5-3-12-4-6(5)9/h2-3,6,9H,1,4H2
InChIKeyWGVJBUDOTOKUMH-UHFFFAOYSA-N
XLogP-0.55
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoyl oxirene-2-carboperoxoate;hydrate
CID 156773444
prop-2-enoyl 4,4-dimethylcyclopentene-1-carboperoxoate
CID 153408459
oxirane;prop-2-enoyloxy prop-2-eneperoxoate
CID 88522939
7-oxabicyclo[4.1.0]hept-1-en-3-yl prop-2-enoate
CID 163516342
4H-1,3-dioxin-5-yl prop-2-enoate
CID 168866481
propan-2-yl 2-prop-2-enoylperoxycarbonylbenzoate
CID 18506015
(2,5-dioxopyrrol-1-yl) prop-2-enoate
CID 87099539
prop-2-enoyl 2-ethyl-4-methylbenzenecarboperoxoate
CID 174614301
amino prop-2-eneperoxoate
CID 54317531
[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
CID 88741656
(2,2,2-trifluoroacetyl) prop-2-eneperoxoate
CID 140517984
[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
CID 141266638

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate?
The IUPAC name of prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate (CID 176729362) is prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate.
What is the SMILES notation for prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate?
The canonical SMILES for prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate is C=CC(=O)OOC(=O)C1=COCC1O.
What is the InChIKey of prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate?
The InChIKey is WGVJBUDOTOKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6/c1-2-7(10)13-14-8(11)5-3-12-4-6(5)9/h2-3,6,9H,1,4H2.
What are the key properties of prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate?
prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate has a molecular weight of 200.15 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 3-hydroxy-2,3-dihydrofuran-4-carboperoxoate is sourced from PubChem (CID 176729362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).