ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate

C17H24O5 — CID 54708306

IUPACethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
SMILESCCOC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCCCC1
InChIInChI=1S/C17H24O5/c1-2-21-16(19)13-11-9-7-5-3-4-6-8-10-12-14(18)17(20)22-15(12)13/h18H,2-11H2,1H3/b15-13-
InChIKeySFZSCTFGCVNCSY-SQFISAMPSA-N
MW308.37 g/mol
LogP3.70
Rot. Bonds2

About ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate

ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate (PubChem CID 54708306) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate.

Molecular Properties

Compound Nameethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
PubChem CID54708306
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nameethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
SMILESCCOC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCCCC1
InChIInChI=1S/C17H24O5/c1-2-21-16(19)13-11-9-7-5-3-4-6-8-10-12-14(18)17(20)22-15(12)13/h18H,2-11H2,1H3/b15-13-
InChIKeySFZSCTFGCVNCSY-SQFISAMPSA-N
XLogP3.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate with MolForge

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Related Compounds

propan-2-yl 3-hydroxy-2-oxo-5,6-dihydro-4H-1-benzofuran-7-carboxylate
CID 101085402
ethyl 2-phenylcyclohexene-1-carboxylate
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ethyl (1Z)-2-(5-ethoxy-5-oxopentyl)cyclododecene-1-carboxylate
CID 100941297
ethyl 2-iodocyclohexene-1-carboxylate
CID 11065817
ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate
CID 11833373
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptene-1-carboxylate
CID 102270210
ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
CID 15275325
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
ethyl 2-hydroxy-3,3-dimethylcyclohexene-1-carboxylate
CID 67126624
ethyl 2-amino-5-cyclohexylidene-4-hydroxypyrrole-3-carboxylate
CID 135837382
ethyl 2-[(3-methoxy-3-oxopropanoyl)amino]cycloheptene-1-carboxylate
CID 54551622
methyl 2-(2-ethoxy-2-oxoethyl)cyclohexene-1-carboxylate
CID 24869697

Frequently Asked Questions

What is the IUPAC name of ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate?
The IUPAC name of ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate (CID 54708306) is ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate.
What is the SMILES notation for ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate?
The canonical SMILES for ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate is CCOC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCCCC1.
What is the InChIKey of ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate?
The InChIKey is SFZSCTFGCVNCSY-SQFISAMPSA-N. The full InChI is InChI=1S/C17H24O5/c1-2-21-16(19)13-11-9-7-5-3-4-6-8-10-12-14(18)17(20)22-15(12)13/h18H,2-11H2,1H3/b15-13-.
What are the key properties of ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate?
ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate has a molecular weight of 308.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate is sourced from PubChem (CID 54708306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).