ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate

C12H18O3 — CID 10878423

IUPACethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate
SMILESC=CC1CC(CC)/C(=C/C(=O)OCC)O1
InChIInChI=1S/C12H18O3/c1-4-9-7-10(5-2)15-11(9)8-12(13)14-6-3/h5,8-10H,2,4,6-7H2,1,3H3/b11-8-
InChIKeyKEUOJQCNZKVNJU-FLIBITNWSA-N
MW210.27 g/mol
LogP2.43
Rot. Bonds4

About ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate

ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate (PubChem CID 10878423) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate
PubChem CID10878423
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate
SMILESC=CC1CC(CC)/C(=C/C(=O)OCC)O1
InChIInChI=1S/C12H18O3/c1-4-9-7-10(5-2)15-11(9)8-12(13)14-6-3/h5,8-10H,2,4,6-7H2,1,3H3/b11-8-
InChIKeyKEUOJQCNZKVNJU-FLIBITNWSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.43
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-ethenyl-3-ethyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate (CID 10878423) is ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate is C=CC1CC(CC)/C(=C/C(=O)OCC)O1.
What is the InChIKey of ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate?
The InChIKey is KEUOJQCNZKVNJU-FLIBITNWSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-9-7-10(5-2)15-11(9)8-12(13)14-6-3/h5,8-10H,2,4,6-7H2,1,3H3/b11-8-.
What are the key properties of ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate?
ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate has a molecular weight of 210.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5-ethenyl-3-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 10878423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).