(4E)-undeca-1,4-dien-1-one

C11H18O — CID 140677508

IUPAC(4E)-undeca-1,4-dien-1-one
SMILESCCCCCC/C=C/CC=C=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,10H,2-6,9H2,1H3/b8-7+
InChIKeyHWMNSTAQLZHYJL-BQYQJAHWSA-N
MW166.26 g/mol
LogP3.29
Rot. Bonds7

About (4E)-undeca-1,4-dien-1-one

(4E)-undeca-1,4-dien-1-one (PubChem CID 140677508) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E)-undeca-1,4-dien-1-one.

Molecular Properties

Compound Name(4E)-undeca-1,4-dien-1-one
PubChem CID140677508
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E)-undeca-1,4-dien-1-one
SMILESCCCCCC/C=C/CC=C=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,10H,2-6,9H2,1H3/b8-7+
InChIKeyHWMNSTAQLZHYJL-BQYQJAHWSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-1,4,7-trien-1-one
CID 175346373
(4E,6E)-hexadeca-1,4,6-trien-1-one
CID 57027611
heptatriaconta-15,18,19-triene
CID 57100861
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
icosa-1,8,14,17-tetraen-1-one
CID 91100789
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-docos-9-ene
CID 11690102
nonacos-6-ene
CID 25200821
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of (4E)-undeca-1,4-dien-1-one?
The IUPAC name of (4E)-undeca-1,4-dien-1-one (CID 140677508) is (4E)-undeca-1,4-dien-1-one.
What is the SMILES notation for (4E)-undeca-1,4-dien-1-one?
The canonical SMILES for (4E)-undeca-1,4-dien-1-one is CCCCCC/C=C/CC=C=O.
What is the InChIKey of (4E)-undeca-1,4-dien-1-one?
The InChIKey is HWMNSTAQLZHYJL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,10H,2-6,9H2,1H3/b8-7+.
What are the key properties of (4E)-undeca-1,4-dien-1-one?
(4E)-undeca-1,4-dien-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-undeca-1,4-dien-1-one is sourced from PubChem (CID 140677508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).