3-ethyltricyclo[4.3.1.12,5]undecane

C13H22 — CID 163995336

IUPAC3-ethyltricyclo[4.3.1.12,5]undecane
SMILESCCC1CC2CC1C1CCCC2C1
InChIInChI=1S/C13H22/c1-2-9-6-12-8-13(9)11-5-3-4-10(12)7-11/h9-13H,2-8H2,1H3
InChIKeyUEEQTJVAKPNGPL-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds1

About 3-ethyltricyclo[4.3.1.12,5]undecane

3-ethyltricyclo[4.3.1.12,5]undecane (PubChem CID 163995336) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-ethyltricyclo[4.3.1.12,5]undecane.

Molecular Properties

Compound Name3-ethyltricyclo[4.3.1.12,5]undecane
PubChem CID163995336
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-ethyltricyclo[4.3.1.12,5]undecane
SMILESCCC1CC2CC1C1CCCC2C1
InChIInChI=1S/C13H22/c1-2-9-6-12-8-13(9)11-5-3-4-10(12)7-11/h9-13H,2-8H2,1H3
InChIKeyUEEQTJVAKPNGPL-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyltricyclo[4.3.1.12,5]undecane?
The IUPAC name of 3-ethyltricyclo[4.3.1.12,5]undecane (CID 163995336) is 3-ethyltricyclo[4.3.1.12,5]undecane.
What is the SMILES notation for 3-ethyltricyclo[4.3.1.12,5]undecane?
The canonical SMILES for 3-ethyltricyclo[4.3.1.12,5]undecane is CCC1CC2CC1C1CCCC2C1.
What is the InChIKey of 3-ethyltricyclo[4.3.1.12,5]undecane?
The InChIKey is UEEQTJVAKPNGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-9-6-12-8-13(9)11-5-3-4-10(12)7-11/h9-13H,2-8H2,1H3.
What are the key properties of 3-ethyltricyclo[4.3.1.12,5]undecane?
3-ethyltricyclo[4.3.1.12,5]undecane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyltricyclo[4.3.1.12,5]undecane is sourced from PubChem (CID 163995336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).