(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione

C22H22O2 — CID 146535524

IUPAC(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione
SMILESC=C/C=C\C=C(/C)C(=O)C(/C=C(\C)C(=O)c1ccccc1)=C/C=C
InChIInChI=1S/C22H22O2/c1-5-7-9-13-17(3)21(23)20(12-6-2)16-18(4)22(24)19-14-10-8-11-15-19/h5-16H,1-2H2,3-4H3/b9-7-,17-13+,18-16+,20-12+
InChIKeyOJTDEOAFNVUMNX-AUNQYSAOSA-N
MW318.42 g/mol
LogP5.19
Rot. Bonds8

About (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione

(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione (PubChem CID 146535524) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione.

Molecular Properties

Compound Name(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione
PubChem CID146535524
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione
SMILESC=C/C=C\C=C(/C)C(=O)C(/C=C(\C)C(=O)c1ccccc1)=C/C=C
InChIInChI=1S/C22H22O2/c1-5-7-9-13-17(3)21(23)20(12-6-2)16-18(4)22(24)19-14-10-8-11-15-19/h5-16H,1-2H2,3-4H3/b9-7-,17-13+,18-16+,20-12+
InChIKeyOJTDEOAFNVUMNX-AUNQYSAOSA-N
XLogP5.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione with MolForge

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Related Compounds

(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(2Z)-2-benzoylpenta-2,4-dienethial
CID 146179532
2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
CID 173287666
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 145134846
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
[(3E)-3-ethenylhexa-1,3,5-trien-2-yl] benzoate
CID 143295221
buta-1,3-dienyl benzenecarboperoxoate
CID 174974294
ethane;3-methyl-4-oxo-4-(4-phenylphenyl)but-2-enoic acid
CID 91568344

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione?
The IUPAC name of (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione (CID 146535524) is (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione.
What is the SMILES notation for (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione?
The canonical SMILES for (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione is C=C/C=C\C=C(/C)C(=O)C(/C=C(\C)C(=O)c1ccccc1)=C/C=C.
What is the InChIKey of (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione?
The InChIKey is OJTDEOAFNVUMNX-AUNQYSAOSA-N. The full InChI is InChI=1S/C22H22O2/c1-5-7-9-13-17(3)21(23)20(12-6-2)16-18(4)22(24)19-14-10-8-11-15-19/h5-16H,1-2H2,3-4H3/b9-7-,17-13+,18-16+,20-12+.
What are the key properties of (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione?
(2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione has a molecular weight of 318.42 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8Z)-2,6-dimethyl-1-phenyl-4-prop-2-enylideneundeca-2,6,8,10-tetraene-1,5-dione is sourced from PubChem (CID 146535524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).