methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate

C14H18O5 — CID 101085404

IUPACmethyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate
SMILESCOC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCC1
InChIInChI=1S/C14H18O5/c1-18-13(16)10-8-6-4-2-3-5-7-9-11(15)14(17)19-12(9)10/h15H,2-8H2,1H3/b12-10-
InChIKeyUENRLAFINFSKOM-BENRWUELSA-N
MW266.29 g/mol
LogP2.53
Rot. Bonds1

About methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate

methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate (PubChem CID 101085404) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate.

Molecular Properties

Compound Namemethyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate
PubChem CID101085404
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate
SMILESCOC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCC1
InChIInChI=1S/C14H18O5/c1-18-13(16)10-8-6-4-2-3-5-7-9-11(15)14(17)19-12(9)10/h15H,2-8H2,1H3/b12-10-
InChIKeyUENRLAFINFSKOM-BENRWUELSA-N
XLogP2.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate?
The IUPAC name of methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate (CID 101085404) is methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate.
What is the SMILES notation for methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate?
The canonical SMILES for methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate is COC(=O)/C1=C2\OC(=O)C(O)=C2CCCCCCC1.
What is the InChIKey of methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate?
The InChIKey is UENRLAFINFSKOM-BENRWUELSA-N. The full InChI is InChI=1S/C14H18O5/c1-18-13(16)10-8-6-4-2-3-5-7-9-11(15)14(17)19-12(9)10/h15H,2-8H2,1H3/b12-10-.
What are the key properties of methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate?
methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate is sourced from PubChem (CID 101085404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).