tricyclo[4.3.1.13,8]undecane-3,4-diol

C11H18O2 — CID 13439495

IUPACtricyclo[4.3.1.13,8]undecane-3,4-diol
SMILESOC1CC2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C11H18O2/c12-10-4-7-1-8-3-9(2-7)6-11(10,13)5-8/h7-10,12-13H,1-6H2
InChIKeyZYASVINYBUFJBO-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds

About tricyclo[4.3.1.13,8]undecane-3,4-diol

tricyclo[4.3.1.13,8]undecane-3,4-diol (PubChem CID 13439495) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is tricyclo[4.3.1.13,8]undecane-3,4-diol.

Molecular Properties

Compound Nametricyclo[4.3.1.13,8]undecane-3,4-diol
PubChem CID13439495
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nametricyclo[4.3.1.13,8]undecane-3,4-diol
SMILESOC1CC2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C11H18O2/c12-10-4-7-1-8-3-9(2-7)6-11(10,13)5-8/h7-10,12-13H,1-6H2
InChIKeyZYASVINYBUFJBO-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[4.3.1.13,8]undecane-3,4-diol?
The IUPAC name of tricyclo[4.3.1.13,8]undecane-3,4-diol (CID 13439495) is tricyclo[4.3.1.13,8]undecane-3,4-diol.
What is the SMILES notation for tricyclo[4.3.1.13,8]undecane-3,4-diol?
The canonical SMILES for tricyclo[4.3.1.13,8]undecane-3,4-diol is OC1CC2CC3CC(C2)CC1(O)C3.
What is the InChIKey of tricyclo[4.3.1.13,8]undecane-3,4-diol?
The InChIKey is ZYASVINYBUFJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-4-7-1-8-3-9(2-7)6-11(10,13)5-8/h7-10,12-13H,1-6H2.
What are the key properties of tricyclo[4.3.1.13,8]undecane-3,4-diol?
tricyclo[4.3.1.13,8]undecane-3,4-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[4.3.1.13,8]undecane-3,4-diol is sourced from PubChem (CID 13439495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).