dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate

C16H18O4 — CID 59449156

IUPACdimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C3CC(C4C=CCC43)C12
InChIInChI=1S/C16H18O4/c1-19-15(17)13-11-9-6-10(8-5-3-4-7(8)9)12(11)14(13)16(18)20-2/h3-4,7-12H,5-6H2,1-2H3
InChIKeyJDARFCUNMCFVAR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds2

About dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate

dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate (PubChem CID 59449156) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate
PubChem CID59449156
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namedimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C3CC(C4C=CCC43)C12
InChIInChI=1S/C16H18O4/c1-19-15(17)13-11-9-6-10(8-5-3-4-7(8)9)12(11)14(13)16(18)20-2/h3-4,7-12H,5-6H2,1-2H3
InChIKeyJDARFCUNMCFVAR-UHFFFAOYSA-N
XLogP1.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
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 dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate?
The IUPAC name of dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate (CID 59449156) is dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate?
The canonical SMILES for dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2C3CC(C4C=CCC43)C12.
What is the InChIKey of dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate?
The InChIKey is JDARFCUNMCFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-15(17)13-11-9-6-10(8-5-3-4-7(8)9)12(11)14(13)16(18)20-2/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate?
dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate is sourced from PubChem (CID 59449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).