1,2-diethylbicyclo[4.4.1]undecane

C15H28 — CID 91239883

IUPAC1,2-diethylbicyclo[4.4.1]undecane
SMILESCCC1CCCC2CCCCC1(CC)C2
InChIInChI=1S/C15H28/c1-3-14-10-7-9-13-8-5-6-11-15(14,4-2)12-13/h13-14H,3-12H2,1-2H3
InChIKeyIKGRWUDZKBUGBE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds2

About 1,2-diethylbicyclo[4.4.1]undecane

1,2-diethylbicyclo[4.4.1]undecane (PubChem CID 91239883) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2-diethylbicyclo[4.4.1]undecane.

Molecular Properties

Compound Name1,2-diethylbicyclo[4.4.1]undecane
PubChem CID91239883
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2-diethylbicyclo[4.4.1]undecane
SMILESCCC1CCCC2CCCCC1(CC)C2
InChIInChI=1S/C15H28/c1-3-14-10-7-9-13-8-5-6-11-15(14,4-2)12-13/h13-14H,3-12H2,1-2H3
InChIKeyIKGRWUDZKBUGBE-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbicyclo[4.4.1]undecane?
The IUPAC name of 1,2-diethylbicyclo[4.4.1]undecane (CID 91239883) is 1,2-diethylbicyclo[4.4.1]undecane.
What is the SMILES notation for 1,2-diethylbicyclo[4.4.1]undecane?
The canonical SMILES for 1,2-diethylbicyclo[4.4.1]undecane is CCC1CCCC2CCCCC1(CC)C2.
What is the InChIKey of 1,2-diethylbicyclo[4.4.1]undecane?
The InChIKey is IKGRWUDZKBUGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-14-10-7-9-13-8-5-6-11-15(14,4-2)12-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,2-diethylbicyclo[4.4.1]undecane?
1,2-diethylbicyclo[4.4.1]undecane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbicyclo[4.4.1]undecane is sourced from PubChem (CID 91239883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).