(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one

C15H26O3 — CID 11139695

IUPAC(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOC(OC)C(=O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(17-4)18-5/h8,10,15H,6-7,9,11H2,1-5H3/b13-10+
InChIKeyCSCMHIFQXDTAJN-JLHYYAGUSA-N
MW254.37 g/mol
LogP3.65
Rot. Bonds9

About (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one

(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 11139695) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID11139695
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOC(OC)C(=O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(17-4)18-5/h8,10,15H,6-7,9,11H2,1-5H3/b13-10+
InChIKeyCSCMHIFQXDTAJN-JLHYYAGUSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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': '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)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one (CID 11139695) is (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one is COC(OC)C(=O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is CSCMHIFQXDTAJN-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(16)15(17-4)18-5/h8,10,15H,6-7,9,11H2,1-5H3/b13-10+.
What are the key properties of (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one?
(5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,1-dimethoxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 11139695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).