methyloxidanium

CH5O+ — CID 12660727

IUPACmethyloxidanium
SMILESC[OH2+]
InChIInChI=1S/CH4O/c1-2/h2H,1H3/p+1
InChIKeyOKKJLVBELUTLKV-UHFFFAOYSA-O
MW33.05 g/mol
LogP-0.66
Rot. Bonds

About methyloxidanium

methyloxidanium (PubChem CID 12660727) has the molecular formula CH5O+ and a molecular weight of 33.05 g/mol. Its IUPAC name is methyloxidanium.

Molecular Properties

Compound Namemethyloxidanium
PubChem CID12660727
Molecular FormulaCH5O+
Molecular Weight33.05 g/mol
Exact Mass33.03
IUPAC Namemethyloxidanium
SMILESC[OH2+]
InChIInChI=1S/CH4O/c1-2/h2H,1H3/p+1
InChIKeyOKKJLVBELUTLKV-UHFFFAOYSA-O
XLogP-0.66
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50033.05
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

Methanol
CID 887
Methanol-D4
CID 71568
Methyl alcohol-d
CID 12201670
Methan(2H)ol
CID 123113
(2H3)Methanol
CID 123132
Methanol-13C
CID 11205710
Methanol-18O
CID 12201672
Dideuterio-hydroxy-methane
CID 12812205
Trideuterio(deuteriooxy)(113C)methane
CID 11788253
Methanol--water (1/1)
CID 22242641
Hydroxymethyl-d3 radical
CID 138852
(111C)methanol
CID 450515

Frequently Asked Questions

What is the IUPAC name of methyloxidanium?
The IUPAC name of methyloxidanium (CID 12660727) is methyloxidanium.
What is the SMILES notation for methyloxidanium?
The canonical SMILES for methyloxidanium is C[OH2+].
What is the InChIKey of methyloxidanium?
The InChIKey is OKKJLVBELUTLKV-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O/c1-2/h2H,1H3/p+1.
What are the key properties of methyloxidanium?
methyloxidanium has a molecular weight of 33.05 g/mol, XLogP of -0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyloxidanium is sourced from PubChem (CID 12660727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).