2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol

C13H24O3 — CID 162871161

IUPAC2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
SMILESCC12CCC(C(CCO)C1)C(C)(CCO)O2
InChIInChI=1S/C13H24O3/c1-12-5-3-11(10(9-12)4-7-14)13(2,16-12)6-8-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyOCVMQZTUMWZHLP-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.72
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol

2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol (PubChem CID 162871161) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
PubChem CID162871161
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
SMILESCC12CCC(C(CCO)C1)C(C)(CCO)O2
InChIInChI=1S/C13H24O3/c1-12-5-3-11(10(9-12)4-7-14)13(2,16-12)6-8-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyOCVMQZTUMWZHLP-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol 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)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
3-[(1S,3S,4R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]propan-1-ol
CID 130920618
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
CID 131855256
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
(1S,3S,4S,7R,8R)-1,3,4,6,6-pentamethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 91749850
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389944
CID 69010883
CID 69010883
(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 130151113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol (CID 162871161) is 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol is CC12CCC(C(CCO)C1)C(C)(CCO)O2.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol?
The InChIKey is OCVMQZTUMWZHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-12-5-3-11(10(9-12)4-7-14)13(2,16-12)6-8-15/h10-11,14-15H,3-9H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol?
2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol has a molecular weight of 228.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol is sourced from PubChem (CID 162871161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).