ethyl (2E)-2-(oxolan-2-ylidene)acetate

C8H12O3 — CID 11084120

IUPACethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6+
InChIKeyFWALKMNFOWCSQI-VOTSOKGWSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About ethyl (2E)-2-(oxolan-2-ylidene)acetate

ethyl (2E)-2-(oxolan-2-ylidene)acetate (PubChem CID 11084120) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl (2E)-2-(oxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(oxolan-2-ylidene)acetate
PubChem CID11084120
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6+
InChIKeyFWALKMNFOWCSQI-VOTSOKGWSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(oxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(oxolan-2-ylidene)acetate (CID 11084120) is ethyl (2E)-2-(oxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(oxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(oxolan-2-ylidene)acetate is CCOC(=O)/C=C1\CCCO1.
What is the InChIKey of ethyl (2E)-2-(oxolan-2-ylidene)acetate?
The InChIKey is FWALKMNFOWCSQI-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6+.
What are the key properties of ethyl (2E)-2-(oxolan-2-ylidene)acetate?
ethyl (2E)-2-(oxolan-2-ylidene)acetate has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(oxolan-2-ylidene)acetate is sourced from PubChem (CID 11084120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).