(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate

C13H14O3 — CID 166987314

IUPAC(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate
SMILESCOC1C2CC(c3ccccc32)C1OC=O
InChIInChI=1S/C13H14O3/c1-15-12-10-6-11(13(12)16-7-14)9-5-3-2-4-8(9)10/h2-5,7,10-13H,6H2,1H3
InChIKeyQVEBIADVAYZAMI-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.83
Rot. Bonds3

About (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate

(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate (PubChem CID 166987314) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate.

Molecular Properties

Compound Name(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate
PubChem CID166987314
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate
SMILESCOC1C2CC(c3ccccc32)C1OC=O
InChIInChI=1S/C13H14O3/c1-15-12-10-6-11(13(12)16-7-14)9-5-3-2-4-8(9)10/h2-5,7,10-13H,6H2,1H3
InChIKeyQVEBIADVAYZAMI-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate?
The IUPAC name of (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate (CID 166987314) is (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate.
What is the SMILES notation for (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate?
The canonical SMILES for (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate is COC1C2CC(c3ccccc32)C1OC=O.
What is the InChIKey of (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate?
The InChIKey is QVEBIADVAYZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-12-10-6-11(13(12)16-7-14)9-5-3-2-4-8(9)10/h2-5,7,10-13H,6H2,1H3.
What are the key properties of (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate?
(10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate has a molecular weight of 218.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methoxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) formate is sourced from PubChem (CID 166987314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).