3-tricyclo[5.2.1.02,6]dec-4-enyl formate

C11H14O2 — CID 3034891

IUPAC3-tricyclo[5.2.1.02,6]dec-4-enyl formate
SMILESO=COC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2
InChIKeyDNJXQUGTFJIYHQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.76
Rot. Bonds2

About 3-tricyclo[5.2.1.02,6]dec-4-enyl formate

3-tricyclo[5.2.1.02,6]dec-4-enyl formate (PubChem CID 3034891) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]dec-4-enyl formate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]dec-4-enyl formate
PubChem CID3034891
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-tricyclo[5.2.1.02,6]dec-4-enyl formate
SMILESO=COC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2
InChIKeyDNJXQUGTFJIYHQ-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tricyclo[5.2.1.02,6]dec-4-enyl formate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]dec-4-enyl formate (CID 3034891) is 3-tricyclo[5.2.1.02,6]dec-4-enyl formate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]dec-4-enyl formate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]dec-4-enyl formate is O=COC1C=CC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]dec-4-enyl formate?
The InChIKey is DNJXQUGTFJIYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2.
What are the key properties of 3-tricyclo[5.2.1.02,6]dec-4-enyl formate?
3-tricyclo[5.2.1.02,6]dec-4-enyl formate has a molecular weight of 178.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]dec-4-enyl formate is sourced from PubChem (CID 3034891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).