(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one

C14H16O5 — CID 139590803

IUPAC(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one
SMILESCOC1=CC(=O)O/C1=C(\C)C[C@@]1(C)OC=C(C)C1=O
InChIInChI=1S/C14H16O5/c1-8(12-10(17-4)5-11(15)19-12)6-14(3)13(16)9(2)7-18-14/h5,7H,6H2,1-4H3/b12-8+/t14-/m1/s1
InChIKeyYPBGTCAQZMUIQD-CEFACKQISA-N
MW264.28 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one

(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one (PubChem CID 139590803) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one.

Molecular Properties

Compound Name(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one
PubChem CID139590803
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one
SMILESCOC1=CC(=O)O/C1=C(\C)C[C@@]1(C)OC=C(C)C1=O
InChIInChI=1S/C14H16O5/c1-8(12-10(17-4)5-11(15)19-12)6-14(3)13(16)9(2)7-18-14/h5,7H,6H2,1-4H3/b12-8+/t14-/m1/s1
InChIKeyYPBGTCAQZMUIQD-CEFACKQISA-N
XLogP2.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one?
The IUPAC name of (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one (CID 139590803) is (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one.
What is the SMILES notation for (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one?
The canonical SMILES for (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one is COC1=CC(=O)O/C1=C(\C)C[C@@]1(C)OC=C(C)C1=O.
What is the InChIKey of (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one?
The InChIKey is YPBGTCAQZMUIQD-CEFACKQISA-N. The full InChI is InChI=1S/C14H16O5/c1-8(12-10(17-4)5-11(15)19-12)6-14(3)13(16)9(2)7-18-14/h5,7H,6H2,1-4H3/b12-8+/t14-/m1/s1.
What are the key properties of (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one?
(2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one has a molecular weight of 264.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2E)-2-(3-methoxy-5-oxofuran-2-ylidene)propyl]-2,4-dimethylfuran-3-one is sourced from PubChem (CID 139590803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).