methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate

C15H14O6 — CID 6330209

IUPACmethyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
SMILESC/C=C1\C(=O)O[C@@]23C=C[C@H]4C(C(=O)OC)=CO[C@@H](O[C@H]12)[C@H]43
InChIInChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m0/s1
InChIKeyVFXXNAVZODKBIW-ADVXZGNDSA-N
MW290.27 g/mol
LogP0.84
Rot. Bonds1

About methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate

methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate (PubChem CID 6330209) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
PubChem CID6330209
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namemethyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
SMILESC/C=C1\C(=O)O[C@@]23C=C[C@H]4C(C(=O)OC)=CO[C@@H](O[C@H]12)[C@H]43
InChIInChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m0/s1
InChIKeyVFXXNAVZODKBIW-ADVXZGNDSA-N
XLogP0.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate?
The IUPAC name of methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate (CID 6330209) is methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate.
What is the SMILES notation for methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate?
The canonical SMILES for methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate is C/C=C1\C(=O)O[C@@]23C=C[C@H]4C(C(=O)OC)=CO[C@@H](O[C@H]12)[C@H]43.
What is the InChIKey of methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate?
The InChIKey is VFXXNAVZODKBIW-ADVXZGNDSA-N. The full InChI is InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m0/s1.
What are the key properties of methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate?
methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate has a molecular weight of 290.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4R,8S,10R,11Z,14R)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate is sourced from PubChem (CID 6330209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).