ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate

C10H14O3 — CID 10877759

IUPACethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
SMILESC=CC1CC/C(=C/C(=O)OCC)O1
InChIInChI=1S/C10H14O3/c1-3-8-5-6-9(13-8)7-10(11)12-4-2/h3,7-8H,1,4-6H2,2H3/b9-7-
InChIKeyMRRLZRIKVYWJNH-CLFYSBASSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds3

About ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate

ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate (PubChem CID 10877759) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
PubChem CID10877759
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
SMILESC=CC1CC/C(=C/C(=O)OCC)O1
InChIInChI=1S/C10H14O3/c1-3-8-5-6-9(13-8)7-10(11)12-4-2/h3,7-8H,1,4-6H2,2H3/b9-7-
InChIKeyMRRLZRIKVYWJNH-CLFYSBASSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate (CID 10877759) is ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate is C=CC1CC/C(=C/C(=O)OCC)O1.
What is the InChIKey of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate?
The InChIKey is MRRLZRIKVYWJNH-CLFYSBASSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-8-5-6-9(13-8)7-10(11)12-4-2/h3,7-8H,1,4-6H2,2H3/b9-7-.
What are the key properties of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate?
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate is sourced from PubChem (CID 10877759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).