(4E,7E)-undeca-4,7-dien-6-one

C11H18O — CID 23366329

IUPAC(4E,7E)-undeca-4,7-dien-6-one
SMILESCCC/C=C/C(=O)/C=C/CCC
InChIInChI=1S/C11H18O/c1-3-5-7-9-11(12)10-8-6-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+
InChIKeyHOLZYGBUEVHTBB-FIFLTTCUSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds6

About (4E,7E)-undeca-4,7-dien-6-one

(4E,7E)-undeca-4,7-dien-6-one (PubChem CID 23366329) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E,7E)-undeca-4,7-dien-6-one.

Molecular Properties

Compound Name(4E,7E)-undeca-4,7-dien-6-one
PubChem CID23366329
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E,7E)-undeca-4,7-dien-6-one
SMILESCCC/C=C/C(=O)/C=C/CCC
InChIInChI=1S/C11H18O/c1-3-5-7-9-11(12)10-8-6-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+
InChIKeyHOLZYGBUEVHTBB-FIFLTTCUSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-1,1,1-trifluoronona-2,5-dien-4-one
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(E)-hex-2-enoic acid
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docosakis(hex-2-enoic acid);phosphane
CID 174896095
(E)-hex-2-enamide;hydrochloride
CID 141291310
N-chlorohex-2-enamide
CID 140536866
(E)-1-fluorohept-3-en-2-one
CID 71502223
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
CID 90268379
CID 90268379
S-ethyl (E)-hex-2-enethioate
CID 11400929
(Z)-oct-4-en-1-yn-3-one
CID 89176441
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
N-propylhex-2-enamide
CID 88538823

Frequently Asked Questions

What is the IUPAC name of (4E,7E)-undeca-4,7-dien-6-one?
The IUPAC name of (4E,7E)-undeca-4,7-dien-6-one (CID 23366329) is (4E,7E)-undeca-4,7-dien-6-one.
What is the SMILES notation for (4E,7E)-undeca-4,7-dien-6-one?
The canonical SMILES for (4E,7E)-undeca-4,7-dien-6-one is CCC/C=C/C(=O)/C=C/CCC.
What is the InChIKey of (4E,7E)-undeca-4,7-dien-6-one?
The InChIKey is HOLZYGBUEVHTBB-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-7-9-11(12)10-8-6-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+.
What are the key properties of (4E,7E)-undeca-4,7-dien-6-one?
(4E,7E)-undeca-4,7-dien-6-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 (4E,7E)-undeca-4,7-dien-6-one is sourced from PubChem (CID 23366329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).