tricyclo[5.4.1.01,5]dodecane

C12H20 — CID 135040983

IUPACtricyclo[5.4.1.01,5]dodecane
SMILESC1CCC23CCCC2CC(C1)C3
InChIInChI=1S/C12H20/c1-2-6-12-7-3-5-11(12)8-10(4-1)9-12/h10-11H,1-9H2
InChIKeyWWJCZXBGXVFOEV-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.76
Rot. Bonds

About tricyclo[5.4.1.01,5]dodecane

tricyclo[5.4.1.01,5]dodecane (PubChem CID 135040983) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is tricyclo[5.4.1.01,5]dodecane.

Molecular Properties

Compound Nametricyclo[5.4.1.01,5]dodecane
PubChem CID135040983
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nametricyclo[5.4.1.01,5]dodecane
SMILESC1CCC23CCCC2CC(C1)C3
InChIInChI=1S/C12H20/c1-2-6-12-7-3-5-11(12)8-10(4-1)9-12/h10-11H,1-9H2
InChIKeyWWJCZXBGXVFOEV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.4.1.01,5]dodecane?
The IUPAC name of tricyclo[5.4.1.01,5]dodecane (CID 135040983) is tricyclo[5.4.1.01,5]dodecane.
What is the SMILES notation for tricyclo[5.4.1.01,5]dodecane?
The canonical SMILES for tricyclo[5.4.1.01,5]dodecane is C1CCC23CCCC2CC(C1)C3.
What is the InChIKey of tricyclo[5.4.1.01,5]dodecane?
The InChIKey is WWJCZXBGXVFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-6-12-7-3-5-11(12)8-10(4-1)9-12/h10-11H,1-9H2.
What are the key properties of tricyclo[5.4.1.01,5]dodecane?
tricyclo[5.4.1.01,5]dodecane has a molecular weight of 164.29 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.4.1.01,5]dodecane is sourced from PubChem (CID 135040983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).