4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate

C13H16O2 — CID 59471202

IUPAC4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate
SMILESCC(=O)OC1C=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C13H16O2/c1-8(14)15-11-4-5-12-9-2-3-10(6-9)13(12)7-11/h2-5,9-13H,6-7H2,1H3
InChIKeyWQMRRASHQOMZLW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.32
Rot. Bonds1

About 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate

4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate (PubChem CID 59471202) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate.

Molecular Properties

Compound Name4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate
PubChem CID59471202
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate
SMILESCC(=O)OC1C=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C13H16O2/c1-8(14)15-11-4-5-12-9-2-3-10(6-9)13(12)7-11/h2-5,9-13H,6-7H2,1H3
InChIKeyWQMRRASHQOMZLW-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.32
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 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate?
The IUPAC name of 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate (CID 59471202) is 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate.
What is the SMILES notation for 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate?
The canonical SMILES for 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate is CC(=O)OC1C=CC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate?
The InChIKey is WQMRRASHQOMZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8(14)15-11-4-5-12-9-2-3-10(6-9)13(12)7-11/h2-5,9-13H,6-7H2,1H3.
What are the key properties of 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate?
4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate has a molecular weight of 204.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tricyclo[6.2.1.02,7]undeca-5,9-dienyl acetate is sourced from PubChem (CID 59471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).