9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one

C15H18O2 — CID 590849

IUPAC9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one
SMILESCC(C)=CC(=O)C=C(C)C=CCc1ccoc1
InChIInChI=1S/C15H18O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h4-5,7-11H,6H2,1-3H3
InChIKeyJUFQPGYYOPLPOO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.86
Rot. Bonds5

About 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one

9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one (PubChem CID 590849) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one.

Molecular Properties

Compound Name9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one
PubChem CID590849
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one
SMILESCC(C)=CC(=O)C=C(C)C=CCc1ccoc1
InChIInChI=1S/C15H18O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h4-5,7-11H,6H2,1-3H3
InChIKeyJUFQPGYYOPLPOO-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one?
The IUPAC name of 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one (CID 590849) is 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one.
What is the SMILES notation for 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one?
The canonical SMILES for 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one is CC(C)=CC(=O)C=C(C)C=CCc1ccoc1.
What is the InChIKey of 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one?
The InChIKey is JUFQPGYYOPLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one?
9-(furan-3-yl)-2,6-dimethylnona-2,5,7-trien-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.86, 5 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-2,5,7-trien-4-one is sourced from PubChem (CID 590849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).