(E)-6,8-diphenyloct-5-en-7-yn-2-one

C20H18O — CID 14925232

IUPAC(E)-6,8-diphenyloct-5-en-7-yn-2-one
SMILESCC(=O)CC/C=C(/C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O/c1-17(21)9-8-14-20(19-12-6-3-7-13-19)16-15-18-10-4-2-5-11-18/h2-7,10-14H,8-9H2,1H3/b20-14-
InChIKeyWDGSHTLXWPFSQD-ZHZULCJRSA-N
MW274.36 g/mol
LogP4.49
Rot. Bonds4

About (E)-6,8-diphenyloct-5-en-7-yn-2-one

(E)-6,8-diphenyloct-5-en-7-yn-2-one (PubChem CID 14925232) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-6,8-diphenyloct-5-en-7-yn-2-one.

Molecular Properties

Compound Name(E)-6,8-diphenyloct-5-en-7-yn-2-one
PubChem CID14925232
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name(E)-6,8-diphenyloct-5-en-7-yn-2-one
SMILESCC(=O)CC/C=C(/C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O/c1-17(21)9-8-14-20(19-12-6-3-7-13-19)16-15-18-10-4-2-5-11-18/h2-7,10-14H,8-9H2,1H3/b20-14-
InChIKeyWDGSHTLXWPFSQD-ZHZULCJRSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-1,3-diphenyl-6-propyldeca-3,6-dien-1-yn-5-one
CID 71769457
N,N-bis[(Z)-4,6-diphenylhex-3-en-5-ynyl]-4-methylbenzenesulfonamide
CID 25227650
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
CID 101458062
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318
(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
7-phenylhept-6-yn-2-one
CID 11084575
[(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienyl] benzoate
CID 57418029
(Z)-11-phenylundec-8-en-10-yn-2-one
CID 25186776
1-phenylheptane-1,6-dione
CID 11333176
2-[[5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 73448058
2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 18517080
2-[methyl-[3-phenyl-5-(4-propylphenyl)pent-2-en-4-ynyl]amino]acetic acid
CID 85040478

Frequently Asked Questions

What is the IUPAC name of (E)-6,8-diphenyloct-5-en-7-yn-2-one?
The IUPAC name of (E)-6,8-diphenyloct-5-en-7-yn-2-one (CID 14925232) is (E)-6,8-diphenyloct-5-en-7-yn-2-one.
What is the SMILES notation for (E)-6,8-diphenyloct-5-en-7-yn-2-one?
The canonical SMILES for (E)-6,8-diphenyloct-5-en-7-yn-2-one is CC(=O)CC/C=C(/C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-6,8-diphenyloct-5-en-7-yn-2-one?
The InChIKey is WDGSHTLXWPFSQD-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H18O/c1-17(21)9-8-14-20(19-12-6-3-7-13-19)16-15-18-10-4-2-5-11-18/h2-7,10-14H,8-9H2,1H3/b20-14-.
What are the key properties of (E)-6,8-diphenyloct-5-en-7-yn-2-one?
(E)-6,8-diphenyloct-5-en-7-yn-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,8-diphenyloct-5-en-7-yn-2-one is sourced from PubChem (CID 14925232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).