3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate

C10H16O5 — CID 14173446

IUPAC3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate
SMILESC=C(C(=O)OCC)C(=O)OCCOCC
InChIInChI=1S/C10H16O5/c1-4-13-6-7-15-10(12)8(3)9(11)14-5-2/h3-7H2,1-2H3
InChIKeyOPOLBLUYNFQKDH-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.69
Rot. Bonds7

About 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate

3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate (PubChem CID 14173446) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate.

Molecular Properties

Compound Name3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate
PubChem CID14173446
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate
SMILESC=C(C(=O)OCC)C(=O)OCCOCC
InChIInChI=1S/C10H16O5/c1-4-13-6-7-15-10(12)8(3)9(11)14-5-2/h3-7H2,1-2H3
InChIKeyOPOLBLUYNFQKDH-UHFFFAOYSA-N
XLogP0.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate 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 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate?
The IUPAC name of 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate (CID 14173446) is 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate.
What is the SMILES notation for 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate?
The canonical SMILES for 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate is C=C(C(=O)OCC)C(=O)OCCOCC.
What is the InChIKey of 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate?
The InChIKey is OPOLBLUYNFQKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-13-6-7-15-10(12)8(3)9(11)14-5-2/h3-7H2,1-2H3.
What are the key properties of 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate?
3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate has a molecular weight of 216.23 g/mol, XLogP of 0.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-(2-ethoxyethyl) 1-O-ethyl 2-methylidenepropanedioate is sourced from PubChem (CID 14173446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).