5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione

C11H16O5 — CID 15355817

IUPAC5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
SMILESC=CC(OC)C1(C)C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C11H16O5/c1-6-7(14-5)11(4)8(12)15-10(2,3)16-9(11)13/h6-7H,1H2,2-5H3
InChIKeyYCXFYHVVJFTNTO-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.03
Rot. Bonds3

About 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione

5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione (PubChem CID 15355817) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
PubChem CID15355817
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
SMILESC=CC(OC)C1(C)C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C11H16O5/c1-6-7(14-5)11(4)8(12)15-10(2,3)16-9(11)13/h6-7H,1H2,2-5H3
InChIKeyYCXFYHVVJFTNTO-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione (CID 15355817) is 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione is C=CC(OC)C1(C)C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The InChIKey is YCXFYHVVJFTNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-6-7(14-5)11(4)8(12)15-10(2,3)16-9(11)13/h6-7H,1H2,2-5H3.
What are the key properties of 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione has a molecular weight of 228.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 15355817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).