3,4,5-trimethyloxan-2-ol

C8H16O2 — CID 23586464

IUPAC3,4,5-trimethyloxan-2-ol
SMILESCC1COC(O)C(C)C1C
InChIInChI=1S/C8H16O2/c1-5-4-10-8(9)7(3)6(5)2/h5-9H,4H2,1-3H3
InChIKeyJNICSVYYSFWMMG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.24
Rot. Bonds

About 3,4,5-trimethyloxan-2-ol

3,4,5-trimethyloxan-2-ol (PubChem CID 23586464) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3,4,5-trimethyloxan-2-ol.

Molecular Properties

Compound Name3,4,5-trimethyloxan-2-ol
PubChem CID23586464
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3,4,5-trimethyloxan-2-ol
SMILESCC1COC(O)C(C)C1C
InChIInChI=1S/C8H16O2/c1-5-4-10-8(9)7(3)6(5)2/h5-9H,4H2,1-3H3
InChIKeyJNICSVYYSFWMMG-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trimethyloxan-2-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

(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(3S,4R,5S)-5-hydroxy-4-methyl(2,3,4,5-13C4)oxolan-3-olate
CID 167693374
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 100948278
6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 130146998
ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
CID 144983019
(3R,4S)-3,4-dimethyloxolane-2-thiol
CID 88563389
(2S,3S)-2,3-dimethyloxetane
CID 76764483
2-fluoro-1-[(3S,4R,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone
CID 131845417
2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone
CID 131845419

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyloxan-2-ol?
The IUPAC name of 3,4,5-trimethyloxan-2-ol (CID 23586464) is 3,4,5-trimethyloxan-2-ol.
What is the SMILES notation for 3,4,5-trimethyloxan-2-ol?
The canonical SMILES for 3,4,5-trimethyloxan-2-ol is CC1COC(O)C(C)C1C.
What is the InChIKey of 3,4,5-trimethyloxan-2-ol?
The InChIKey is JNICSVYYSFWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-4-10-8(9)7(3)6(5)2/h5-9H,4H2,1-3H3.
What are the key properties of 3,4,5-trimethyloxan-2-ol?
3,4,5-trimethyloxan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyloxan-2-ol is sourced from PubChem (CID 23586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).