2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione

C17H24O4 — CID 166060741

IUPAC2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
SMILESCCC1C=CC=CC1(C(C)C)C1(CC)OC(=O)CC(=O)O1
InChIInChI=1S/C17H24O4/c1-5-13-9-7-8-10-16(13,12(3)4)17(6-2)20-14(18)11-15(19)21-17/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyMOJXYBDCYSSRTG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.38
Rot. Bonds4

About 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione

2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione (PubChem CID 166060741) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
PubChem CID166060741
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
SMILESCCC1C=CC=CC1(C(C)C)C1(CC)OC(=O)CC(=O)O1
InChIInChI=1S/C17H24O4/c1-5-13-9-7-8-10-16(13,12(3)4)17(6-2)20-14(18)11-15(19)21-17/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyMOJXYBDCYSSRTG-UHFFFAOYSA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-(2-methylbuta-2,3-dienyl)-5-[(2E)-penta-2,4-dienyl]-1,3-dioxane-4,6-dione
CID 101916611
3,3,7,7,11-Pentamethyl-2,4-dioxaspiro[5.5]undec-9-ene-1,5-quinone
CID 24977269
2,2-dimethyl-5-[(E)-non-2-enyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione
CID 141165841
5,5-Bis(2-methylpropyl)-2-[1-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-1,3-dioxane-4,6-dione
CID 149607858
2-(1-Ethylcyclohexa-2,4-dien-1-yl)-5,5-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 150212551
2-(1-Methylcyclohexa-2,4-dien-1-yl)-5,5-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 151000508
2-(1-Propylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 154238387
2-(1-Propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 154267374
2-(1-Butylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 154269912
2-(1-Tert-butylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 154291986
2-[1-(2-Methylpropyl)cyclohexa-2,4-dien-1-yl]-1,3-dioxane-4,6-dione
CID 154319390
2-Butyl-2-(6-butyl-1-tert-butylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 166060744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione?
The IUPAC name of 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione (CID 166060741) is 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione?
The canonical SMILES for 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione is CCC1C=CC=CC1(C(C)C)C1(CC)OC(=O)CC(=O)O1.
What is the InChIKey of 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione?
The InChIKey is MOJXYBDCYSSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-13-9-7-8-10-16(13,12(3)4)17(6-2)20-14(18)11-15(19)21-17/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione?
2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione has a molecular weight of 292.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione is sourced from PubChem (CID 166060741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).