(E)-9-methoxy-7-methylnon-7-ene-3,6-dione

C11H18O3 — CID 88902571

IUPAC(E)-9-methoxy-7-methylnon-7-ene-3,6-dione
SMILESCCC(=O)CCC(=O)/C(C)=C/COC
InChIInChI=1S/C11H18O3/c1-4-10(12)5-6-11(13)9(2)7-8-14-3/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyUZYAIFVJTJDCBD-VQHVLOKHSA-N
MW198.26 g/mol
LogP1.91
Rot. Bonds7

About (E)-9-methoxy-7-methylnon-7-ene-3,6-dione

(E)-9-methoxy-7-methylnon-7-ene-3,6-dione (PubChem CID 88902571) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-9-methoxy-7-methylnon-7-ene-3,6-dione.

Molecular Properties

Compound Name(E)-9-methoxy-7-methylnon-7-ene-3,6-dione
PubChem CID88902571
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E)-9-methoxy-7-methylnon-7-ene-3,6-dione
SMILESCCC(=O)CCC(=O)/C(C)=C/COC
InChIInChI=1S/C11H18O3/c1-4-10(12)5-6-11(13)9(2)7-8-14-3/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyUZYAIFVJTJDCBD-VQHVLOKHSA-N
XLogP1.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3,7,15-Trimethyl-11-methylidene-10,13-dioxohexadeca-2,6,14-trienyl) acetate
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ethyl (E)-3-methyl-4-oxooct-2-enoate
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Methyl-5-oxo-decenoate
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Frequently Asked Questions

What is the IUPAC name of (E)-9-methoxy-7-methylnon-7-ene-3,6-dione?
The IUPAC name of (E)-9-methoxy-7-methylnon-7-ene-3,6-dione (CID 88902571) is (E)-9-methoxy-7-methylnon-7-ene-3,6-dione.
What is the SMILES notation for (E)-9-methoxy-7-methylnon-7-ene-3,6-dione?
The canonical SMILES for (E)-9-methoxy-7-methylnon-7-ene-3,6-dione is CCC(=O)CCC(=O)/C(C)=C/COC.
What is the InChIKey of (E)-9-methoxy-7-methylnon-7-ene-3,6-dione?
The InChIKey is UZYAIFVJTJDCBD-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-10(12)5-6-11(13)9(2)7-8-14-3/h7H,4-6,8H2,1-3H3/b9-7+.
What are the key properties of (E)-9-methoxy-7-methylnon-7-ene-3,6-dione?
(E)-9-methoxy-7-methylnon-7-ene-3,6-dione has a molecular weight of 198.26 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methoxy-7-methylnon-7-ene-3,6-dione is sourced from PubChem (CID 88902571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).