2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

C12H20O7 — CID 175304446

IUPAC2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C12H20O7/c1-3-15-4-5-16-6-7-17-10(13)12(2)8-18-11(14)19-9-12/h3-9H2,1-2H3
InChIKeyPDMJRTRBPWGWGV-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.76
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 175304446) has the molecular formula C12H20O7 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID175304446
Molecular FormulaC12H20O7
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C12H20O7/c1-3-15-4-5-16-6-7-17-10(13)12(2)8-18-11(14)19-9-12/h3-9H2,1-2H3
InChIKeyPDMJRTRBPWGWGV-UHFFFAOYSA-N
XLogP0.76
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 59608821
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 118944076
2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 89434638
[4-(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxycyclohexyl] 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 102303855
3-chloropropyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;5-methyl-2-oxo-1,3-dioxane-5-carbonyl chloride;5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
CID 157169140
prop-2-en-1-ol;prop-2-enyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;bis(1-tritiopropane)
CID 159790585
5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
CID 14071555
(4-tert-butylphenyl)methyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 167311069
(2,3,5,6-tetrafluoro-4-propylphenyl) 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 144589045
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
benzyl-dimethyl-[(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxymethyl]azanium
CID 140942794
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 175304446) is 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is CCOCCOCCOC(=O)C1(C)COC(=O)OC1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is PDMJRTRBPWGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7/c1-3-15-4-5-16-6-7-17-10(13)12(2)8-18-11(14)19-9-12/h3-9H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 276.28 g/mol, XLogP of 0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 175304446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).