tricyclo[5.3.2.04,9]dodecane

C12H20 — CID 54490019

IUPACtricyclo[5.3.2.04,9]dodecane
SMILESC1CC2CCC3CCC1CC3C2
InChIInChI=1S/C12H20/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h9-12H,1-8H2
InChIKeyXVARZVAWWFPDLB-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.61
Rot. Bonds

About tricyclo[5.3.2.04,9]dodecane

tricyclo[5.3.2.04,9]dodecane (PubChem CID 54490019) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is tricyclo[5.3.2.04,9]dodecane.

Molecular Properties

Compound Nametricyclo[5.3.2.04,9]dodecane
PubChem CID54490019
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nametricyclo[5.3.2.04,9]dodecane
SMILESC1CC2CCC3CCC1CC3C2
InChIInChI=1S/C12H20/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h9-12H,1-8H2
InChIKeyXVARZVAWWFPDLB-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.2.04,9]dodecane?
The IUPAC name of tricyclo[5.3.2.04,9]dodecane (CID 54490019) is tricyclo[5.3.2.04,9]dodecane.
What is the SMILES notation for tricyclo[5.3.2.04,9]dodecane?
The canonical SMILES for tricyclo[5.3.2.04,9]dodecane is C1CC2CCC3CCC1CC3C2.
What is the InChIKey of tricyclo[5.3.2.04,9]dodecane?
The InChIKey is XVARZVAWWFPDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-10-4-6-11-5-3-9(1)7-12(11)8-10/h9-12H,1-8H2.
What are the key properties of tricyclo[5.3.2.04,9]dodecane?
tricyclo[5.3.2.04,9]dodecane has a molecular weight of 164.29 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.2.04,9]dodecane is sourced from PubChem (CID 54490019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).