2,4-dimethyloxetane-2,3-diol

C5H10O3 — CID 142770026

IUPAC2,4-dimethyloxetane-2,3-diol
SMILESCC1OC(C)(O)C1O
InChIInChI=1S/C5H10O3/c1-3-4(6)5(2,7)8-3/h3-4,6-7H,1-2H3
InChIKeyJUNJMFTXTUEPOU-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.53
Rot. Bonds

About 2,4-dimethyloxetane-2,3-diol

2,4-dimethyloxetane-2,3-diol (PubChem CID 142770026) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2,4-dimethyloxetane-2,3-diol.

Molecular Properties

Compound Name2,4-dimethyloxetane-2,3-diol
PubChem CID142770026
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2,4-dimethyloxetane-2,3-diol
SMILESCC1OC(C)(O)C1O
InChIInChI=1S/C5H10O3/c1-3-4(6)5(2,7)8-3/h3-4,6-7H,1-2H3
InChIKeyJUNJMFTXTUEPOU-UHFFFAOYSA-N
XLogP-0.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
CID 130875255
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
3-hydroxy-3-methyl-N-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2,6-dimethyloxan-3-yl]butanamide
CID 154101083
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
CID 68717145
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxetane-2,3-diol?
The IUPAC name of 2,4-dimethyloxetane-2,3-diol (CID 142770026) is 2,4-dimethyloxetane-2,3-diol.
What is the SMILES notation for 2,4-dimethyloxetane-2,3-diol?
The canonical SMILES for 2,4-dimethyloxetane-2,3-diol is CC1OC(C)(O)C1O.
What is the InChIKey of 2,4-dimethyloxetane-2,3-diol?
The InChIKey is JUNJMFTXTUEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-4(6)5(2,7)8-3/h3-4,6-7H,1-2H3.
What are the key properties of 2,4-dimethyloxetane-2,3-diol?
2,4-dimethyloxetane-2,3-diol has a molecular weight of 118.13 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxetane-2,3-diol is sourced from PubChem (CID 142770026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).