ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate

C18H28O5 — CID 101415786

IUPACethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCCCCCCCCCC1=C(O)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C18H28O5/c1-3-5-6-7-8-9-10-11-12-14-15(13-16(19)22-4-2)23-18(21)17(14)20/h13,20H,3-12H2,1-2H3/b15-13-
InChIKeyGFCWCJKRCVDVHI-SQFISAMPSA-N
MW324.42 g/mol
LogP4.33
Rot. Bonds11

About ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate

ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate (PubChem CID 101415786) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
PubChem CID101415786
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Nameethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCCCCCCCCCC1=C(O)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C18H28O5/c1-3-5-6-7-8-9-10-11-12-14-15(13-16(19)22-4-2)23-18(21)17(14)20/h13,20H,3-12H2,1-2H3/b15-13-
InChIKeyGFCWCJKRCVDVHI-SQFISAMPSA-N
XLogP4.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Rhodocorane G
CID 156009609
5-Butyl-6-(hydroxymethyl)-4-methoxy-2h-pyran-2-one
CID 102367318
methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate
CID 101085404
methyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
CID 101085405
ethyl (2Z)-2-[3-(6-chlorohexyl)-4-hydroxy-5-oxofuran-2-ylidene]acetate
CID 101415785
ethyl (9Z)-3-hydroxy-2-oxo-5,6,7,8-tetrahydro-4H-cycloocta[b]furan-9-carboxylate
CID 54703118
Diethoxyhydroxyoctadecenoic acid
CID 129725968
(5E)-4-hexyl-3-hydroxy-5-(3,3,3-trifluoro-2-oxopropylidene)furan-2-one
CID 102045719
ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54697242
ethyl (2Z)-2-(3-butyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 101066217
ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate
CID 101415780
ethyl (2Z)-2-(3-hexyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 101415781

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate (CID 101415786) is ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate is CCCCCCCCCCC1=C(O)C(=O)O/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is GFCWCJKRCVDVHI-SQFISAMPSA-N. The full InChI is InChI=1S/C18H28O5/c1-3-5-6-7-8-9-10-11-12-14-15(13-16(19)22-4-2)23-18(21)17(14)20/h13,20H,3-12H2,1-2H3/b15-13-.
What are the key properties of ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 324.42 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-decyl-4-hydroxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 101415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).