(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol

C11H20O2 — CID 3725683

IUPAC(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol
SMILESCC1CC2(C)CC(C)C1(CO)CO2
InChIInChI=1S/C11H20O2/c1-8-4-10(3)5-9(2)11(8,6-12)7-13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUMZWMUSNXDYWDC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.82
Rot. Bonds1

About (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol

(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol (PubChem CID 3725683) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol.

Molecular Properties

Compound Name(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol
PubChem CID3725683
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol
SMILESCC1CC2(C)CC(C)C1(CO)CO2
InChIInChI=1S/C11H20O2/c1-8-4-10(3)5-9(2)11(8,6-12)7-13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUMZWMUSNXDYWDC-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol 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 (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol?
The IUPAC name of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol (CID 3725683) is (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol.
What is the SMILES notation for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol?
The canonical SMILES for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol is CC1CC2(C)CC(C)C1(CO)CO2.
What is the InChIKey of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol?
The InChIKey is UMZWMUSNXDYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-10(3)5-9(2)11(8,6-12)7-13-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol?
(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol has a molecular weight of 184.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol is sourced from PubChem (CID 3725683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).