(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol

C10H18O2 — CID 130741525

IUPAC(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CCC1C(O)C2
InChIInChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m1/s1
InChIKeyWHIKIYRWRMRQNK-SFVIPPHHSA-N
MW170.25 g/mol
LogP1.71
Rot. Bonds

About (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol

(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol (PubChem CID 130741525) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
PubChem CID130741525
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CCC1C(O)C2
InChIInChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m1/s1
InChIKeyWHIKIYRWRMRQNK-SFVIPPHHSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,4S,5S)-5-[(4-methoxyphenyl)methoxy]-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 100964570
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
(1S,2R,4R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-2,4-diol
CID 131019227
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
5-hydroxy-1,7,7-trimethyl-2,6-dioxatricyclo[6.2.2.04,9]dodec-4-en-3-one
CID 134118554
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
(1S,3S,4S,7R,8R)-1,3,4,6,6-pentamethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 91749850
2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
CID 162871161
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol
CID 114624261
1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
CID 74051960

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol?
The IUPAC name of (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol (CID 130741525) is (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol is CC1(C)O[C@]2(C)CCC1C(O)C2.
What is the InChIKey of (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol?
The InChIKey is WHIKIYRWRMRQNK-SFVIPPHHSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m1/s1.
What are the key properties of (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol?
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol has a molecular weight of 170.25 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 130741525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).