9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one

C15H20O2 — CID 579311

IUPAC9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
SMILESCC(C)=CC(=O)C=C(C)CCCc1ccoc1
InChIInChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h7-11H,4-6H2,1-3H3
InChIKeyKPYPPWAWICYALB-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.08
Rot. Bonds6

About 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one

9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one (PubChem CID 579311) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one.

Molecular Properties

Compound Name9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
PubChem CID579311
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
SMILESCC(C)=CC(=O)C=C(C)CCCc1ccoc1
InChIInChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h7-11H,4-6H2,1-3H3
InChIKeyKPYPPWAWICYALB-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one?
The IUPAC name of 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one (CID 579311) is 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one.
What is the SMILES notation for 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one?
The canonical SMILES for 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one is CC(C)=CC(=O)C=C(C)CCCc1ccoc1.
What is the InChIKey of 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one?
The InChIKey is KPYPPWAWICYALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h7-11H,4-6H2,1-3H3.
What are the key properties of 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one?
9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one has a molecular weight of 232.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one is sourced from PubChem (CID 579311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).