ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate

C10H16O4 — CID 45093891

IUPACethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/COC(OCC)C1
InChIInChI=1S/C10H16O4/c1-3-12-9(11)5-8-6-10(13-4-2)14-7-8/h5,10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyGFASPNZUNBPNMW-VMPITWQZSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate

ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate (PubChem CID 45093891) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate
PubChem CID45093891
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/COC(OCC)C1
InChIInChI=1S/C10H16O4/c1-3-12-9(11)5-8-6-10(13-4-2)14-7-8/h5,10H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyGFASPNZUNBPNMW-VMPITWQZSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate (CID 45093891) is ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate is CCOC(=O)/C=C1/COC(OCC)C1.
What is the InChIKey of ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate?
The InChIKey is GFASPNZUNBPNMW-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-9(11)5-8-6-10(13-4-2)14-7-8/h5,10H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate?
ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(5-ethoxyoxolan-3-ylidene)acetate is sourced from PubChem (CID 45093891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).