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

C11H18O7 — CID 59608821

IUPAC2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C11H18O7/c1-11(7-17-10(13)18-8-11)9(12)16-6-5-15-4-3-14-2/h3-8H2,1-2H3
InChIKeyLJACSNHLPGNNSD-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.37
Rot. Bonds7

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

2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 59608821) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID59608821
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCOCCOCCOC(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C11H18O7/c1-11(7-17-10(13)18-8-11)9(12)16-6-5-15-4-3-14-2/h3-8H2,1-2H3
InChIKeyLJACSNHLPGNNSD-UHFFFAOYSA-N
XLogP0.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 175304446
2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 89434638
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
(4-tert-butylphenyl)methyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 167311069
[4-(5-methyl-2-oxo-1,3-dioxane-5-carbonyl)oxycyclohexyl] 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 102303855
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
prop-2-en-1-ol;prop-2-enyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;bis(1-tritiopropane)
CID 159790585
2-methoxyethanol;(2,3,4,5,6-pentafluorophenyl) 2-(hydroxymethyl)-3-(2-methoxyethoxycarbonyloxy)-2-methylpropanoate;(2,3,4,5,6-pentafluorophenyl) 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 162034944
(2,3,5,6-tetrafluoro-4-propylphenyl) 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 144589045
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
CID 104563587

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 59608821) is 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is COCCOCCOC(=O)C1(C)COC(=O)OC1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is LJACSNHLPGNNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-11(7-17-10(13)18-8-11)9(12)16-6-5-15-4-3-14-2/h3-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 59608821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).