lanthanum;3-methoxydioxiran-3-ol

C2H4LaO4 — CID 175608723

IUPAClanthanum;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.[La]
InChIInChI=1S/C2H4O4.La/c1-4-2(3)5-6-2;/h3H,1H3;
InChIKeyJNWGDEZJGUSGSB-UHFFFAOYSA-N
MW230.96 g/mol
LogP-0.80
Rot. Bonds1

About lanthanum;3-methoxydioxiran-3-ol

lanthanum;3-methoxydioxiran-3-ol (PubChem CID 175608723) has the molecular formula C2H4LaO4 and a molecular weight of 230.96 g/mol. Its IUPAC name is lanthanum;3-methoxydioxiran-3-ol.

Molecular Properties

Compound Namelanthanum;3-methoxydioxiran-3-ol
PubChem CID175608723
Molecular FormulaC2H4LaO4
Molecular Weight230.96 g/mol
Exact Mass230.92
IUPAC Namelanthanum;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.[La]
InChIInChI=1S/C2H4O4.La/c1-4-2(3)5-6-2;/h3H,1H3;
InChIKeyJNWGDEZJGUSGSB-UHFFFAOYSA-N
XLogP-0.80
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.96
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;3-methoxydioxiran-3-ol
CID 174848331
alumane;3-hydroperoxydioxiran-3-ol
CID 175238595
2-methoxyoxiran-2-ol
CID 123437916
2-methoxy-3-methyloxiran-2-ol
CID 141190129
magnesium;3,3-dimethoxydioxirane;hydride
CID 174272624
potassium 3-methoxydioxiran-3-olate
CID 88712055
3-(methoxymethyl)oxetan-3-ol
CID 105427130
5-methoxy-2,3,4,5-tetramethyloxolane-2,3,4-triol
CID 90235416
1-methoxy-2-methylcyclopropan-1-ol
CID 12590266
trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
CID 102096583
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
CID 11412410

Frequently Asked Questions

What is the IUPAC name of lanthanum;3-methoxydioxiran-3-ol?
The IUPAC name of lanthanum;3-methoxydioxiran-3-ol (CID 175608723) is lanthanum;3-methoxydioxiran-3-ol.
What is the SMILES notation for lanthanum;3-methoxydioxiran-3-ol?
The canonical SMILES for lanthanum;3-methoxydioxiran-3-ol is COC1(O)OO1.[La].
What is the InChIKey of lanthanum;3-methoxydioxiran-3-ol?
The InChIKey is JNWGDEZJGUSGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4.La/c1-4-2(3)5-6-2;/h3H,1H3;.
What are the key properties of lanthanum;3-methoxydioxiran-3-ol?
lanthanum;3-methoxydioxiran-3-ol has a molecular weight of 230.96 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;3-methoxydioxiran-3-ol is sourced from PubChem (CID 175608723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).