2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

C14H24O6 — CID 58835820

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1CCC2OC2C1
InChIInChI=1S/C14H24O6/c1-16-4-5-17-6-7-18-8-9-19-14(15)11-2-3-12-13(10-11)20-12/h11-13H,2-10H2,1H3
InChIKeyTVFNDBBIGWAIFJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.78
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 58835820) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID58835820
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1CCC2OC2C1
InChIInChI=1S/C14H24O6/c1-16-4-5-17-6-7-18-8-9-19-14(15)11-2-3-12-13(10-11)20-12/h11-13H,2-10H2,1H3
InChIKeyTVFNDBBIGWAIFJ-UHFFFAOYSA-N
XLogP0.78
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate 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 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 58835820) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is COCCOCCOCCOC(=O)C1CCC2OC2C1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is TVFNDBBIGWAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-16-4-5-17-6-7-18-8-9-19-14(15)11-2-3-12-13(10-11)20-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 0.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 58835820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).