4-ethyltricyclo[6.2.1.02,7]undec-9-ene

C13H20 — CID 139995922

IUPAC4-ethyltricyclo[6.2.1.02,7]undec-9-ene
SMILESCCC1CCC2C3C=CC(C3)C2C1
InChIInChI=1S/C13H20/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h4-5,9-13H,2-3,6-8H2,1H3
InChIKeyTYHFZTOWLWNCBJ-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.63
Rot. Bonds1

About 4-ethyltricyclo[6.2.1.02,7]undec-9-ene

4-ethyltricyclo[6.2.1.02,7]undec-9-ene (PubChem CID 139995922) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4-ethyltricyclo[6.2.1.02,7]undec-9-ene.

Molecular Properties

Compound Name4-ethyltricyclo[6.2.1.02,7]undec-9-ene
PubChem CID139995922
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4-ethyltricyclo[6.2.1.02,7]undec-9-ene
SMILESCCC1CCC2C3C=CC(C3)C2C1
InChIInChI=1S/C13H20/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h4-5,9-13H,2-3,6-8H2,1H3
InChIKeyTYHFZTOWLWNCBJ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethyltricyclo[6.2.1.02,7]undec-9-ene?
The IUPAC name of 4-ethyltricyclo[6.2.1.02,7]undec-9-ene (CID 139995922) is 4-ethyltricyclo[6.2.1.02,7]undec-9-ene.
What is the SMILES notation for 4-ethyltricyclo[6.2.1.02,7]undec-9-ene?
The canonical SMILES for 4-ethyltricyclo[6.2.1.02,7]undec-9-ene is CCC1CCC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-ethyltricyclo[6.2.1.02,7]undec-9-ene?
The InChIKey is TYHFZTOWLWNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h4-5,9-13H,2-3,6-8H2,1H3.
What are the key properties of 4-ethyltricyclo[6.2.1.02,7]undec-9-ene?
4-ethyltricyclo[6.2.1.02,7]undec-9-ene has a molecular weight of 176.30 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltricyclo[6.2.1.02,7]undec-9-ene is sourced from PubChem (CID 139995922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).