(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one

C11H16O3 — CID 10375432

IUPAC(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=CC(=O)O[C@@H]1C(C)(C)C
InChIInChI=1S/C11H16O3/c1-5-6-13-8-7-9(12)14-10(8)11(2,3)4/h5,7,10H,1,6H2,2-4H3/t10-/m0/s1
InChIKeyXNEYASUKHGQQNO-JTQLQIEISA-N
MW196.25 g/mol
LogP2.04
Rot. Bonds3

About (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one

(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one (PubChem CID 10375432) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one
PubChem CID10375432
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=CC(=O)O[C@@H]1C(C)(C)C
InChIInChI=1S/C11H16O3/c1-5-6-13-8-7-9(12)14-10(8)11(2,3)4/h5,7,10H,1,6H2,2-4H3/t10-/m0/s1
InChIKeyXNEYASUKHGQQNO-JTQLQIEISA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-tert-butyl-3-prop-2-enoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one (CID 10375432) is (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one is C=CCOC1=CC(=O)O[C@@H]1C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one?
The InChIKey is XNEYASUKHGQQNO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O3/c1-5-6-13-8-7-9(12)14-10(8)11(2,3)4/h5,7,10H,1,6H2,2-4H3/t10-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one?
(2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-3-prop-2-enoxy-2H-furan-5-one is sourced from PubChem (CID 10375432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).