methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate

C13H14O2 — CID 139316461

IUPACmethyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate
SMILESCOC(=O)C1=CC2C3C=CC4(CC34)C2C1
InChIInChI=1S/C13H14O2/c1-15-12(14)7-4-9-8-2-3-13(6-11(8)13)10(9)5-7/h2-4,8-11H,5-6H2,1H3
InChIKeyLOYPWASMKRLDFA-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.93
Rot. Bonds1

About methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate

methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate (PubChem CID 139316461) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate.

Molecular Properties

Compound Namemethyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate
PubChem CID139316461
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namemethyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate
SMILESCOC(=O)C1=CC2C3C=CC4(CC34)C2C1
InChIInChI=1S/C13H14O2/c1-15-12(14)7-4-9-8-2-3-13(6-11(8)13)10(9)5-7/h2-4,8-11H,5-6H2,1H3
InChIKeyLOYPWASMKRLDFA-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate?
The IUPAC name of methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate (CID 139316461) is methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate.
What is the SMILES notation for methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate?
The canonical SMILES for methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate is COC(=O)C1=CC2C3C=CC4(CC34)C2C1.
What is the InChIKey of methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate?
The InChIKey is LOYPWASMKRLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-15-12(14)7-4-9-8-2-3-13(6-11(8)13)10(9)5-7/h2-4,8-11H,5-6H2,1H3.
What are the key properties of methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate?
methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tetracyclo[5.2.2.01,8.02,6]undeca-4,10-diene-4-carboxylate is sourced from PubChem (CID 139316461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).