(6E,8E)-undeca-6,8-dien-2-one

C11H18O — CID 91753286

IUPAC(6E,8E)-undeca-6,8-dien-2-one
SMILESCC/C=C/C=C/CCCC(C)=O
InChIInChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h4-7H,3,8-10H2,1-2H3/b5-4+,7-6+
InChIKeyITFIJUPFLFMZKL-YTXTXJHMSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds6

About (6E,8E)-undeca-6,8-dien-2-one

(6E,8E)-undeca-6,8-dien-2-one (PubChem CID 91753286) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (6E,8E)-undeca-6,8-dien-2-one.

Molecular Properties

Compound Name(6E,8E)-undeca-6,8-dien-2-one
PubChem CID91753286
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(6E,8E)-undeca-6,8-dien-2-one
SMILESCC/C=C/C=C/CCCC(C)=O
InChIInChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h4-7H,3,8-10H2,1-2H3/b5-4+,7-6+
InChIKeyITFIJUPFLFMZKL-YTXTXJHMSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,8E)-undeca-6,8-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-non-6-en-2-one
CID 11105450
nonadeca-9,11-dien-2-one
CID 76564066
nonadeca-11,13-dien-2-one
CID 72744637
(9E,11Z,13E)-nonadeca-9,11,13-trien-2-one
CID 90307096
(11E)-trideca-9,11-dien-2-one
CID 161147257
dodeca-7,9-dienoic acid
CID 78383934
heptatriaconta-6,28-dien-2-one
CID 549930
(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
CID 5460991
hexadec-13-ene-2,6-dione
CID 141028484

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-undeca-6,8-dien-2-one?
The IUPAC name of (6E,8E)-undeca-6,8-dien-2-one (CID 91753286) is (6E,8E)-undeca-6,8-dien-2-one.
What is the SMILES notation for (6E,8E)-undeca-6,8-dien-2-one?
The canonical SMILES for (6E,8E)-undeca-6,8-dien-2-one is CC/C=C/C=C/CCCC(C)=O.
What is the InChIKey of (6E,8E)-undeca-6,8-dien-2-one?
The InChIKey is ITFIJUPFLFMZKL-YTXTXJHMSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h4-7H,3,8-10H2,1-2H3/b5-4+,7-6+.
What are the key properties of (6E,8E)-undeca-6,8-dien-2-one?
(6E,8E)-undeca-6,8-dien-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-undeca-6,8-dien-2-one is sourced from PubChem (CID 91753286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).