5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione

C11H14O4 — CID 72789723

IUPAC5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(C2C=CCC2)C(=O)O1
InChIInChI=1S/C11H14O4/c1-11(2)14-9(12)8(10(13)15-11)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyGXKACLLMLURGGL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.40
Rot. Bonds1

About 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione

5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 72789723) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID72789723
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(C2C=CCC2)C(=O)O1
InChIInChI=1S/C11H14O4/c1-11(2)14-9(12)8(10(13)15-11)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyGXKACLLMLURGGL-UHFFFAOYSA-N
XLogP1.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 72789723) is 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(C2C=CCC2)C(=O)O1.
What is the InChIKey of 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is GXKACLLMLURGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2)14-9(12)8(10(13)15-11)7-5-3-4-6-7/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 210.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-2-en-1-yl-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 72789723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).