(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one

C11H14O4 — CID 122206279

IUPAC(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C1=C/C(=C/C(O)C(C)O)OC1=O
InChIInChI=1S/C11H14O4/c1-3-4-8-5-9(15-11(8)14)6-10(13)7(2)12/h3-7,10,12-13H,1-2H3/b4-3+,9-6-
InChIKeyGHAQSPHOVQZZBH-KXIWCOCFSA-N
MW210.23 g/mol
LogP0.67
Rot. Bonds3

About (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one

(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one (PubChem CID 122206279) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one
PubChem CID122206279
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C1=C/C(=C/C(O)C(C)O)OC1=O
InChIInChI=1S/C11H14O4/c1-3-4-8-5-9(15-11(8)14)6-10(13)7(2)12/h3-7,10,12-13H,1-2H3/b4-3+,9-6-
InChIKeyGHAQSPHOVQZZBH-KXIWCOCFSA-N
XLogP0.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one?
The IUPAC name of (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one (CID 122206279) is (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one.
What is the SMILES notation for (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one?
The canonical SMILES for (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one is C/C=C/C1=C/C(=C/C(O)C(C)O)OC1=O.
What is the InChIKey of (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one?
The InChIKey is GHAQSPHOVQZZBH-KXIWCOCFSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-4-8-5-9(15-11(8)14)6-10(13)7(2)12/h3-7,10,12-13H,1-2H3/b4-3+,9-6-.
What are the key properties of (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one?
(5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one has a molecular weight of 210.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,3-dihydroxybutylidene)-3-[(E)-prop-1-enyl]furan-2-one is sourced from PubChem (CID 122206279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).