methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate

C15H18O4 — CID 14786941

IUPACmethyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate
SMILESCOC(=O)C1=CC2C(=O)OC1C1CC/C=C\CCC21
InChIInChI=1S/C15H18O4/c1-18-14(16)12-8-11-9-6-4-2-3-5-7-10(9)13(12)19-15(11)17/h2-3,8-11,13H,4-7H2,1H3/b3-2-
InChIKeyOQMNGCUYAKNSQN-IHWYPQMZSA-N
MW262.30 g/mol
LogP2.00
Rot. Bonds1

About methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate

methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate (PubChem CID 14786941) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate.

Molecular Properties

Compound Namemethyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate
PubChem CID14786941
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namemethyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate
SMILESCOC(=O)C1=CC2C(=O)OC1C1CC/C=C\CCC21
InChIInChI=1S/C15H18O4/c1-18-14(16)12-8-11-9-6-4-2-3-5-7-10(9)13(12)19-15(11)17/h2-3,8-11,13H,4-7H2,1H3/b3-2-
InChIKeyOQMNGCUYAKNSQN-IHWYPQMZSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate?
The IUPAC name of methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate (CID 14786941) is methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate.
What is the SMILES notation for methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate?
The canonical SMILES for methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate is COC(=O)C1=CC2C(=O)OC1C1CC/C=C\CCC21.
What is the InChIKey of methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate?
The InChIKey is OQMNGCUYAKNSQN-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-14(16)12-8-11-9-6-4-2-3-5-7-10(9)13(12)19-15(11)17/h2-3,8-11,13H,4-7H2,1H3/b3-2-.
What are the key properties of methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate?
methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-12-oxo-11-oxatricyclo[8.2.2.02,9]tetradeca-5,13-diene-14-carboxylate is sourced from PubChem (CID 14786941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).