tricyclo[5.3.1.03,8]undecane-2,3-diol

C11H18O2 — CID 566110

IUPACtricyclo[5.3.1.03,8]undecane-2,3-diol
SMILESOC1C2CCC3C(CCCC13O)C2
InChIInChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2
InChIKeyGCZRVOVYRLIMPB-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds

About tricyclo[5.3.1.03,8]undecane-2,3-diol

tricyclo[5.3.1.03,8]undecane-2,3-diol (PubChem CID 566110) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is tricyclo[5.3.1.03,8]undecane-2,3-diol.

Molecular Properties

Compound Nametricyclo[5.3.1.03,8]undecane-2,3-diol
PubChem CID566110
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametricyclo[5.3.1.03,8]undecane-2,3-diol
SMILESOC1C2CCC3C(CCCC13O)C2
InChIInChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2
InChIKeyGCZRVOVYRLIMPB-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.1.03,8]undecane-2,3-diol?
The IUPAC name of tricyclo[5.3.1.03,8]undecane-2,3-diol (CID 566110) is tricyclo[5.3.1.03,8]undecane-2,3-diol.
What is the SMILES notation for tricyclo[5.3.1.03,8]undecane-2,3-diol?
The canonical SMILES for tricyclo[5.3.1.03,8]undecane-2,3-diol is OC1C2CCC3C(CCCC13O)C2.
What is the InChIKey of tricyclo[5.3.1.03,8]undecane-2,3-diol?
The InChIKey is GCZRVOVYRLIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9,10)13/h7-10,12-13H,1-6H2.
What are the key properties of tricyclo[5.3.1.03,8]undecane-2,3-diol?
tricyclo[5.3.1.03,8]undecane-2,3-diol has a molecular weight of 182.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.03,8]undecane-2,3-diol is sourced from PubChem (CID 566110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).