ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate

C17H22O5 — CID 10870490

IUPACethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate
SMILESC=CCCC1=C(OC(C=C)CC)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C17H22O5/c1-5-9-10-13-14(11-15(18)20-8-4)22-17(19)16(13)21-12(6-2)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-11-
InChIKeyKAHVHAYORDKAAI-KAMYIIQDSA-N
MW306.36 g/mol
LogP3.19
Rot. Bonds9

About ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate

ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate (PubChem CID 10870490) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate
PubChem CID10870490
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Nameethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate
SMILESC=CCCC1=C(OC(C=C)CC)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C17H22O5/c1-5-9-10-13-14(11-15(18)20-8-4)22-17(19)16(13)21-12(6-2)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-11-
InChIKeyKAHVHAYORDKAAI-KAMYIIQDSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate (CID 10870490) is ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate is C=CCCC1=C(OC(C=C)CC)C(=O)O/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate?
The InChIKey is KAHVHAYORDKAAI-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H22O5/c1-5-9-10-13-14(11-15(18)20-8-4)22-17(19)16(13)21-12(6-2)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-11-.
What are the key properties of ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate?
ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate has a molecular weight of 306.36 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-but-3-enyl-5-oxo-4-pent-1-en-3-yloxyfuran-2-ylidene)acetate is sourced from PubChem (CID 10870490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).