1,9-dimethoxynona-3,6-dien-5-one

C11H18O3 — CID 57225014

IUPAC1,9-dimethoxynona-3,6-dien-5-one
SMILESCOCCC=CC(=O)C=CCCOC
InChIInChI=1S/C11H18O3/c1-13-9-5-3-7-11(12)8-4-6-10-14-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUFRPFJHUGHBFKW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.74
Rot. Bonds8

About 1,9-dimethoxynona-3,6-dien-5-one

1,9-dimethoxynona-3,6-dien-5-one (PubChem CID 57225014) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,9-dimethoxynona-3,6-dien-5-one.

Molecular Properties

Compound Name1,9-dimethoxynona-3,6-dien-5-one
PubChem CID57225014
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1,9-dimethoxynona-3,6-dien-5-one
SMILESCOCCC=CC(=O)C=CCCOC
InChIInChI=1S/C11H18O3/c1-13-9-5-3-7-11(12)8-4-6-10-14-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUFRPFJHUGHBFKW-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethoxynona-3,6-dien-5-one?
The IUPAC name of 1,9-dimethoxynona-3,6-dien-5-one (CID 57225014) is 1,9-dimethoxynona-3,6-dien-5-one.
What is the SMILES notation for 1,9-dimethoxynona-3,6-dien-5-one?
The canonical SMILES for 1,9-dimethoxynona-3,6-dien-5-one is COCCC=CC(=O)C=CCCOC.
What is the InChIKey of 1,9-dimethoxynona-3,6-dien-5-one?
The InChIKey is UFRPFJHUGHBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-9-5-3-7-11(12)8-4-6-10-14-2/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 1,9-dimethoxynona-3,6-dien-5-one?
1,9-dimethoxynona-3,6-dien-5-one has a molecular weight of 198.26 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethoxynona-3,6-dien-5-one is sourced from PubChem (CID 57225014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).