(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one

C16H26O3 — CID 23643949

IUPAC(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one
SMILESC/C=C/C=C/C(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c1-2-3-5-10-15(17)11-6-4-8-13-18-16-12-7-9-14-19-16/h2-3,5,10,16H,4,6-9,11-14H2,1H3/b3-2+,10-5+
InChIKeyGHZIGWXUCLIAIR-XPQLPGEHSA-N
MW266.38 g/mol
LogP3.79
Rot. Bonds9

About (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one

(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one (PubChem CID 23643949) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one.

Molecular Properties

Compound Name(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one
PubChem CID23643949
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one
SMILESC/C=C/C=C/C(=O)CCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c1-2-3-5-10-15(17)11-6-4-8-13-18-16-12-7-9-14-19-16/h2-3,5,10,16H,4,6-9,11-14H2,1H3/b3-2+,10-5+
InChIKeyGHZIGWXUCLIAIR-XPQLPGEHSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.79
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one?
The IUPAC name of (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one (CID 23643949) is (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one.
What is the SMILES notation for (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one?
The canonical SMILES for (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one is C/C=C/C=C/C(=O)CCCCCOC1CCCCO1.
What is the InChIKey of (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one?
The InChIKey is GHZIGWXUCLIAIR-XPQLPGEHSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-5-10-15(17)11-6-4-8-13-18-16-12-7-9-14-19-16/h2-3,5,10,16H,4,6-9,11-14H2,1H3/b3-2+,10-5+.
What are the key properties of (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one?
(2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one has a molecular weight of 266.38 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-11-(oxan-2-yloxy)undeca-2,4-dien-6-one is sourced from PubChem (CID 23643949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).