(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one

C15H26O3 — CID 15237478

IUPAC(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOCOC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C15H26O3/c1-13(8-6-10-15(3)16)7-5-9-14(2)11-18-12-17-4/h8-9H,5-7,10-12H2,1-4H3/b13-8+,14-9+
InChIKeyMKKBUCAMYKBPNY-UQNWOCKMSA-N
MW254.37 g/mol
LogP3.65
Rot. Bonds10

About (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one

(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 15237478) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID15237478
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOCOC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C15H26O3/c1-13(8-6-10-15(3)16)7-5-9-14(2)11-18-12-17-4/h8-9H,5-7,10-12H2,1-4H3/b13-8+,14-9+
InChIKeyMKKBUCAMYKBPNY-UQNWOCKMSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one (CID 15237478) is (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one is COCOC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is MKKBUCAMYKBPNY-UQNWOCKMSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(8-6-10-15(3)16)7-5-9-14(2)11-18-12-17-4/h8-9H,5-7,10-12H2,1-4H3/b13-8+,14-9+.
What are the key properties of (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one?
(5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-(methoxymethoxy)-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 15237478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).