ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate

C15H20O4 — CID 134842056

IUPACethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1=C(CC)OC(=O)C12CCCC2
InChIInChI=1S/C15H20O4/c1-3-12-11(7-8-13(16)18-4-2)15(14(17)19-12)9-5-6-10-15/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyKEEWUQCELUMHEU-BQYQJAHWSA-N
MW264.32 g/mol
LogP2.89
Rot. Bonds4

About ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate

ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate (PubChem CID 134842056) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate
PubChem CID134842056
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1=C(CC)OC(=O)C12CCCC2
InChIInChI=1S/C15H20O4/c1-3-12-11(7-8-13(16)18-4-2)15(14(17)19-12)9-5-6-10-15/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyKEEWUQCELUMHEU-BQYQJAHWSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.89
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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Related Compounds

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ethyl (1Z)-1-(1-ethoxy-1-oxopropan-2-ylidene)-7a-methyl-6,7-dihydro-2H-indene-4-carboxylate
CID 139968515
Spiro[4.4]nona-1,3-dien-4-yl 2-methylprop-2-enoate
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ethyl 1-[(Z)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate
CID 9970259
ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate
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Methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate
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Ethyl 4-(2,2-dimethylpent-4-enyl)-2-ethoxycyclopenta-1,3-diene-1-carboxylate
CID 10989558
dimethyl (4E)-3-methylidene-4-(1-prop-2-enoyloxyethylidene)cyclopentane-1,1-dicarboxylate
CID 44550084
methyl (2E)-2-[(3aR,6aS)-5-ethenyl-3a,6a-dimethyl-3-oxo-1H-cyclopenta[c]furan-6-ylidene]acetate
CID 101769967
2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione
CID 102056803

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate (CID 134842056) is ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate is CCOC(=O)/C=C/C1=C(CC)OC(=O)C12CCCC2.
What is the InChIKey of ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate?
The InChIKey is KEEWUQCELUMHEU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-12-11(7-8-13(16)18-4-2)15(14(17)19-12)9-5-6-10-15/h7-8H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate?
ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate is sourced from PubChem (CID 134842056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).