(1E,3E)-1-phenylundeca-1,3-dien-5-one

C17H22O — CID 5373541

IUPAC(1E,3E)-1-phenylundeca-1,3-dien-5-one
SMILESCCCCCCC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H22O/c1-2-3-4-8-14-17(18)15-10-9-13-16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3/b13-9+,15-10+
InChIKeyRBJSSKXGUSMQPC-XHWVFBAXSA-N
MW242.36 g/mol
LogP4.80
Rot. Bonds8

About (1E,3E)-1-phenylundeca-1,3-dien-5-one

(1E,3E)-1-phenylundeca-1,3-dien-5-one (PubChem CID 5373541) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (1E,3E)-1-phenylundeca-1,3-dien-5-one.

Molecular Properties

Compound Name(1E,3E)-1-phenylundeca-1,3-dien-5-one
PubChem CID5373541
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(1E,3E)-1-phenylundeca-1,3-dien-5-one
SMILESCCCCCCC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H22O/c1-2-3-4-8-14-17(18)15-10-9-13-16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3/b13-9+,15-10+
InChIKeyRBJSSKXGUSMQPC-XHWVFBAXSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
tris(4-benzylidene-1-phenylheptadec-1-en-3-one);bis(palladium)
CID 173000326
bis(4-benzylidene-1-phenylheptadec-1-en-3-one);palladium
CID 87961389
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
dodeca-2,4-dien-6-one
CID 71412707
(E)-9-amino-1-phenylnon-1-en-3-one
CID 140555712

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-phenylundeca-1,3-dien-5-one?
The IUPAC name of (1E,3E)-1-phenylundeca-1,3-dien-5-one (CID 5373541) is (1E,3E)-1-phenylundeca-1,3-dien-5-one.
What is the SMILES notation for (1E,3E)-1-phenylundeca-1,3-dien-5-one?
The canonical SMILES for (1E,3E)-1-phenylundeca-1,3-dien-5-one is CCCCCCC(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (1E,3E)-1-phenylundeca-1,3-dien-5-one?
The InChIKey is RBJSSKXGUSMQPC-XHWVFBAXSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-4-8-14-17(18)15-10-9-13-16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3/b13-9+,15-10+.
What are the key properties of (1E,3E)-1-phenylundeca-1,3-dien-5-one?
(1E,3E)-1-phenylundeca-1,3-dien-5-one has a molecular weight of 242.36 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-phenylundeca-1,3-dien-5-one is sourced from PubChem (CID 5373541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).