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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Related Compounds

4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914

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).