2-methoxy-3-methyloxiran-2-ol

C4H8O3 — CID 141190129

IUPAC2-methoxy-3-methyloxiran-2-ol
SMILESCOC1(O)OC1C
InChIInChI=1S/C4H8O3/c1-3-4(5,6-2)7-3/h3,5H,1-2H3
InChIKeyGYXSDJXRGRGPQI-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.30
Rot. Bonds1

About 2-methoxy-3-methyloxiran-2-ol

2-methoxy-3-methyloxiran-2-ol (PubChem CID 141190129) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-methoxy-3-methyloxiran-2-ol.

Molecular Properties

Compound Name2-methoxy-3-methyloxiran-2-ol
PubChem CID141190129
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-methoxy-3-methyloxiran-2-ol
SMILESCOC1(O)OC1C
InChIInChI=1S/C4H8O3/c1-3-4(5,6-2)7-3/h3,5H,1-2H3
InChIKeyGYXSDJXRGRGPQI-UHFFFAOYSA-N
XLogP-0.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methoxy-3-methyloxiran-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

2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol
CID 138738690
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
6-(hydroxymethyl)-2-methoxyoxane-2,3-diol
CID 156818457
1-methoxy-2-methylcyclopropan-1-ol
CID 12590266
trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
CID 102096583
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
lanthanum;3-methoxydioxiran-3-ol
CID 175608723
azane;3-methoxydioxiran-3-ol
CID 174848331
2-methoxy-2-(2-methoxyethoxy)-3-methyloxirane
CID 54186191
2-fluoro-3-methyloxirane-2-carboxylic acid
CID 151667742
2-methoxyoxiran-2-ol
CID 123437916
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyloxiran-2-ol?
The IUPAC name of 2-methoxy-3-methyloxiran-2-ol (CID 141190129) is 2-methoxy-3-methyloxiran-2-ol.
What is the SMILES notation for 2-methoxy-3-methyloxiran-2-ol?
The canonical SMILES for 2-methoxy-3-methyloxiran-2-ol is COC1(O)OC1C.
What is the InChIKey of 2-methoxy-3-methyloxiran-2-ol?
The InChIKey is GYXSDJXRGRGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-3-4(5,6-2)7-3/h3,5H,1-2H3.
What are the key properties of 2-methoxy-3-methyloxiran-2-ol?
2-methoxy-3-methyloxiran-2-ol has a molecular weight of 104.11 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyloxiran-2-ol is sourced from PubChem (CID 141190129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).