1-ethoxytricyclo[4.3.1.12,5]undecane

C13H22O — CID 54026503

IUPAC1-ethoxytricyclo[4.3.1.12,5]undecane
SMILESCCOC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C13H22O/c1-2-14-13-7-3-4-11(9-13)10-5-6-12(13)8-10/h10-12H,2-9H2,1H3
InChIKeyLCOBZZZFSLILIM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.38
Rot. Bonds2

About 1-ethoxytricyclo[4.3.1.12,5]undecane

1-ethoxytricyclo[4.3.1.12,5]undecane (PubChem CID 54026503) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethoxytricyclo[4.3.1.12,5]undecane.

Molecular Properties

Compound Name1-ethoxytricyclo[4.3.1.12,5]undecane
PubChem CID54026503
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-ethoxytricyclo[4.3.1.12,5]undecane
SMILESCCOC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C13H22O/c1-2-14-13-7-3-4-11(9-13)10-5-6-12(13)8-10/h10-12H,2-9H2,1H3
InChIKeyLCOBZZZFSLILIM-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxytricyclo[4.3.1.12,5]undecane?
The IUPAC name of 1-ethoxytricyclo[4.3.1.12,5]undecane (CID 54026503) is 1-ethoxytricyclo[4.3.1.12,5]undecane.
What is the SMILES notation for 1-ethoxytricyclo[4.3.1.12,5]undecane?
The canonical SMILES for 1-ethoxytricyclo[4.3.1.12,5]undecane is CCOC12CCCC(C1)C1CCC2C1.
What is the InChIKey of 1-ethoxytricyclo[4.3.1.12,5]undecane?
The InChIKey is LCOBZZZFSLILIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-14-13-7-3-4-11(9-13)10-5-6-12(13)8-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-ethoxytricyclo[4.3.1.12,5]undecane?
1-ethoxytricyclo[4.3.1.12,5]undecane has a molecular weight of 194.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxytricyclo[4.3.1.12,5]undecane is sourced from PubChem (CID 54026503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).