[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate

C10H12O4 — CID 102186233

IUPAC[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate
SMILESC/C=C(/C)[C@H]1OC(=O)C=C1OC(C)=O
InChIInChI=1S/C10H12O4/c1-4-6(2)10-8(13-7(3)11)5-9(12)14-10/h4-5,10H,1-3H3/b6-4-/t10-/m1/s1
InChIKeyYBKWPWKDQORRLC-AYYIZTPMSA-N
MW196.20 g/mol
LogP1.33
Rot. Bonds2

About [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate

[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate (PubChem CID 102186233) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate
PubChem CID102186233
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate
SMILESC/C=C(/C)[C@H]1OC(=O)C=C1OC(C)=O
InChIInChI=1S/C10H12O4/c1-4-6(2)10-8(13-7(3)11)5-9(12)14-10/h4-5,10H,1-3H3/b6-4-/t10-/m1/s1
InChIKeyYBKWPWKDQORRLC-AYYIZTPMSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate?
The IUPAC name of [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate (CID 102186233) is [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate.
What is the SMILES notation for [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate?
The canonical SMILES for [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate is C/C=C(/C)[C@H]1OC(=O)C=C1OC(C)=O.
What is the InChIKey of [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate?
The InChIKey is YBKWPWKDQORRLC-AYYIZTPMSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-6(2)10-8(13-7(3)11)5-9(12)14-10/h4-5,10H,1-3H3/b6-4-/t10-/m1/s1.
What are the key properties of [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate?
[(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate has a molecular weight of 196.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(Z)-but-2-en-2-yl]-5-oxo-2H-furan-3-yl] acetate is sourced from PubChem (CID 102186233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).