2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione

C24H30O3 — CID 86118759

IUPAC2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione
SMILESC=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C(=O)C(CC=C)(CC=C)C1=O
InChIInChI=1S/C24H30O3/c1-7-13-22(14-8-2)19(25)23(15-9-3,16-10-4)21(27)24(17-11-5,18-12-6)20(22)26/h7-12H,1-6,13-18H2
InChIKeyWWLUFRQSONMNJC-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.12
Rot. Bonds12

About 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione

2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione (PubChem CID 86118759) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione.

Molecular Properties

Compound Name2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione
PubChem CID86118759
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione
SMILESC=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C(=O)C(CC=C)(CC=C)C1=O
InChIInChI=1S/C24H30O3/c1-7-13-22(14-8-2)19(25)23(15-9-3,16-10-4)21(27)24(17-11-5,18-12-6)20(22)26/h7-12H,1-6,13-18H2
InChIKeyWWLUFRQSONMNJC-UHFFFAOYSA-N
XLogP5.12
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione?
The IUPAC name of 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione (CID 86118759) is 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione.
What is the SMILES notation for 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione?
The canonical SMILES for 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione is C=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C(=O)C(CC=C)(CC=C)C1=O.
What is the InChIKey of 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione?
The InChIKey is WWLUFRQSONMNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-7-13-22(14-8-2)19(25)23(15-9-3,16-10-4)21(27)24(17-11-5,18-12-6)20(22)26/h7-12H,1-6,13-18H2.
What are the key properties of 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione?
2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione has a molecular weight of 366.50 g/mol, XLogP of 5.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexakis(prop-2-enyl)cyclohexane-1,3,5-trione is sourced from PubChem (CID 86118759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).