ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate

C13H18O2 — CID 22179214

IUPACethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate
SMILESCCOC(=O)C12CCCC1=C1CCC2C1
InChIInChI=1S/C13H18O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h10H,2-8H2,1H3
InChIKeyHFVLHMSZSMZGNE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.83
Rot. Bonds2

About ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate

ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate (PubChem CID 22179214) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate
PubChem CID22179214
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nameethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate
SMILESCCOC(=O)C12CCCC1=C1CCC2C1
InChIInChI=1S/C13H18O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h10H,2-8H2,1H3
InChIKeyHFVLHMSZSMZGNE-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate?
The IUPAC name of ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate (CID 22179214) is ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate.
What is the SMILES notation for ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate?
The canonical SMILES for ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate is CCOC(=O)C12CCCC1=C1CCC2C1.
What is the InChIKey of ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate?
The InChIKey is HFVLHMSZSMZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h10H,2-8H2,1H3.
What are the key properties of ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate?
ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate has a molecular weight of 206.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tricyclo[5.2.1.02,6]dec-6-ene-2-carboxylate is sourced from PubChem (CID 22179214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).