(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione

C20H20O2 — CID 175490390

IUPAC(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
SMILESC/C(CC(=O)c1ccccc1)=C(/C)CC(=O)c1ccccc1
InChIInChI=1S/C20H20O2/c1-15(13-19(21)17-9-5-3-6-10-17)16(2)14-20(22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/b16-15+
InChIKeySKPMQJRSOGMOHC-FOCLMDBBSA-N
MW292.38 g/mol
LogP4.87
Rot. Bonds6

About (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione

(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione (PubChem CID 175490390) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione.

Molecular Properties

Compound Name(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
PubChem CID175490390
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
SMILESC/C(CC(=O)c1ccccc1)=C(/C)CC(=O)c1ccccc1
InChIInChI=1S/C20H20O2/c1-15(13-19(21)17-9-5-3-6-10-17)16(2)14-20(22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/b16-15+
InChIKeySKPMQJRSOGMOHC-FOCLMDBBSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
erbium;1-phenylbutane-1,3-dione
CID 175058632
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863
1-phenyldecane-1,3,6,9-tetrone
CID 132518013
1-phenyl(111C)propan-1-one
CID 11159350
silver 3-oxo-3-phenylpropanoate
CID 86633512
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione?
The IUPAC name of (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione (CID 175490390) is (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione.
What is the SMILES notation for (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione?
The canonical SMILES for (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione is C/C(CC(=O)c1ccccc1)=C(/C)CC(=O)c1ccccc1.
What is the InChIKey of (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione?
The InChIKey is SKPMQJRSOGMOHC-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H20O2/c1-15(13-19(21)17-9-5-3-6-10-17)16(2)14-20(22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/b16-15+.
What are the key properties of (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione?
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione has a molecular weight of 292.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione is sourced from PubChem (CID 175490390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).