(5E,7E)-8-phenylocta-1,5,7-trien-4-one

C14H14O — CID 100937640

IUPAC(5E,7E)-8-phenylocta-1,5,7-trien-4-one
SMILESC=CCC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2/b11-6+,12-7+
InChIKeyOJIWBJFJUKONBY-GNXRPPCSSA-N
MW198.26 g/mol
LogP3.40
Rot. Bonds5

About (5E,7E)-8-phenylocta-1,5,7-trien-4-one

(5E,7E)-8-phenylocta-1,5,7-trien-4-one (PubChem CID 100937640) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (5E,7E)-8-phenylocta-1,5,7-trien-4-one.

Molecular Properties

Compound Name(5E,7E)-8-phenylocta-1,5,7-trien-4-one
PubChem CID100937640
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(5E,7E)-8-phenylocta-1,5,7-trien-4-one
SMILESC=CCC(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2/b11-6+,12-7+
InChIKeyOJIWBJFJUKONBY-GNXRPPCSSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
7-phenylhepta-1,4,6-trien-3-one
CID 85345780
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
CID 51040868
sodium;buta-1,3-diene;5-phenylpenta-2,4-dienoate
CID 175798582
(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
CID 142085099
5-phenylpenta-2,4-dienoic acid;prop-2-enyl prop-2-enoate
CID 173001061
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-8-phenylocta-1,5,7-trien-4-one?
The IUPAC name of (5E,7E)-8-phenylocta-1,5,7-trien-4-one (CID 100937640) is (5E,7E)-8-phenylocta-1,5,7-trien-4-one.
What is the SMILES notation for (5E,7E)-8-phenylocta-1,5,7-trien-4-one?
The canonical SMILES for (5E,7E)-8-phenylocta-1,5,7-trien-4-one is C=CCC(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (5E,7E)-8-phenylocta-1,5,7-trien-4-one?
The InChIKey is OJIWBJFJUKONBY-GNXRPPCSSA-N. The full InChI is InChI=1S/C14H14O/c1-2-8-14(15)12-7-6-11-13-9-4-3-5-10-13/h2-7,9-12H,1,8H2/b11-6+,12-7+.
What are the key properties of (5E,7E)-8-phenylocta-1,5,7-trien-4-one?
(5E,7E)-8-phenylocta-1,5,7-trien-4-one has a molecular weight of 198.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-8-phenylocta-1,5,7-trien-4-one is sourced from PubChem (CID 100937640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).