bicyclo[3.3.3]undecane-1,5-diol

C11H20O2 — CID 5251734

IUPACbicyclo[3.3.3]undecane-1,5-diol
SMILESOC12CCCC(O)(CCC1)CCC2
InChIInChI=1S/C11H20O2/c12-10-4-1-5-11(13,7-2-6-10)9-3-8-10/h12-13H,1-9H2
InChIKeyVFTDALWOXJGWCE-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.99
Rot. Bonds

About bicyclo[3.3.3]undecane-1,5-diol

bicyclo[3.3.3]undecane-1,5-diol (PubChem CID 5251734) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is bicyclo[3.3.3]undecane-1,5-diol.

Molecular Properties

Compound Namebicyclo[3.3.3]undecane-1,5-diol
PubChem CID5251734
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namebicyclo[3.3.3]undecane-1,5-diol
SMILESOC12CCCC(O)(CCC1)CCC2
InChIInChI=1S/C11H20O2/c12-10-4-1-5-11(13,7-2-6-10)9-3-8-10/h12-13H,1-9H2
InChIKeyVFTDALWOXJGWCE-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bicyclo[3.3.3]undecane-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.3]undecane-1,5-diol?
The IUPAC name of bicyclo[3.3.3]undecane-1,5-diol (CID 5251734) is bicyclo[3.3.3]undecane-1,5-diol.
What is the SMILES notation for bicyclo[3.3.3]undecane-1,5-diol?
The canonical SMILES for bicyclo[3.3.3]undecane-1,5-diol is OC12CCCC(O)(CCC1)CCC2.
What is the InChIKey of bicyclo[3.3.3]undecane-1,5-diol?
The InChIKey is VFTDALWOXJGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-10-4-1-5-11(13,7-2-6-10)9-3-8-10/h12-13H,1-9H2.
What are the key properties of bicyclo[3.3.3]undecane-1,5-diol?
bicyclo[3.3.3]undecane-1,5-diol has a molecular weight of 184.28 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.3]undecane-1,5-diol is sourced from PubChem (CID 5251734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).