1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione

C15H20O4 — CID 14830724

IUPAC1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione
SMILESCC(C)=CC(=O)CC(C)(O)CCC(=O)c1ccoc1
InChIInChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3
InChIKeyGENURIBYATWERM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.92
Rot. Bonds7

About 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione

1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione (PubChem CID 14830724) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione.

Molecular Properties

Compound Name1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione
PubChem CID14830724
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione
SMILESCC(C)=CC(=O)CC(C)(O)CCC(=O)c1ccoc1
InChIInChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3
InChIKeyGENURIBYATWERM-UHFFFAOYSA-N
XLogP2.92
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione?
The IUPAC name of 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione (CID 14830724) is 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione.
What is the SMILES notation for 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione?
The canonical SMILES for 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione is CC(C)=CC(=O)CC(C)(O)CCC(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione?
The InChIKey is GENURIBYATWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)8-13(16)9-15(3,18)6-4-14(17)12-5-7-19-10-12/h5,7-8,10,18H,4,6,9H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione?
1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione has a molecular weight of 264.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-hydroxy-4,8-dimethylnon-7-ene-1,6-dione is sourced from PubChem (CID 14830724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).