tricyclo[4.3.1.12,5]undecane

C11H18 — CID 13070377

IUPACtricyclo[4.3.1.12,5]undecane
SMILESC1CC2CC(C1)C1CCC2C1
InChIInChI=1S/C11H18/c1-2-8-6-9(3-1)11-5-4-10(8)7-11/h8-11H,1-7H2
InChIKeyGKIAFMYEVNKRSO-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About tricyclo[4.3.1.12,5]undecane

tricyclo[4.3.1.12,5]undecane (PubChem CID 13070377) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is tricyclo[4.3.1.12,5]undecane.

Molecular Properties

Compound Nametricyclo[4.3.1.12,5]undecane
PubChem CID13070377
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nametricyclo[4.3.1.12,5]undecane
SMILESC1CC2CC(C1)C1CCC2C1
InChIInChI=1S/C11H18/c1-2-8-6-9(3-1)11-5-4-10(8)7-11/h8-11H,1-7H2
InChIKeyGKIAFMYEVNKRSO-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.12,5]undecane?
The IUPAC name of tricyclo[4.3.1.12,5]undecane (CID 13070377) is tricyclo[4.3.1.12,5]undecane.
What is the SMILES notation for tricyclo[4.3.1.12,5]undecane?
The canonical SMILES for tricyclo[4.3.1.12,5]undecane is C1CC2CC(C1)C1CCC2C1.
What is the InChIKey of tricyclo[4.3.1.12,5]undecane?
The InChIKey is GKIAFMYEVNKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-8-6-9(3-1)11-5-4-10(8)7-11/h8-11H,1-7H2.
What are the key properties of tricyclo[4.3.1.12,5]undecane?
tricyclo[4.3.1.12,5]undecane has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.12,5]undecane is sourced from PubChem (CID 13070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).