methanol;hydrate

CH6O2 — CID 22242641

IUPACmethanol;hydrate
SMILESCO.O
InChIInChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2
InChIKeyGBMDVOWEEQVZKZ-UHFFFAOYSA-N
MW50.06 g/mol
LogP-1.22
Rot. Bonds

About methanol;hydrate

methanol;hydrate (PubChem CID 22242641) has the molecular formula CH6O2 and a molecular weight of 50.06 g/mol. Its IUPAC name is methanol;hydrate.

Molecular Properties

Compound Namemethanol;hydrate
PubChem CID22242641
Molecular FormulaCH6O2
Molecular Weight50.06 g/mol
Exact Mass50.04
IUPAC Namemethanol;hydrate
SMILESCO.O
InChIInChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2
InChIKeyGBMDVOWEEQVZKZ-UHFFFAOYSA-N
XLogP-1.22
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50050.06
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
Hydroxymethyl-d3 radical
CID 138852
Methanol--water (1/2)
CID 57498073
Methyloxidanium
CID 12660727

Frequently Asked Questions

What is the IUPAC name of methanol;hydrate?
The IUPAC name of methanol;hydrate (CID 22242641) is methanol;hydrate.
What is the SMILES notation for methanol;hydrate?
The canonical SMILES for methanol;hydrate is CO.O.
What is the InChIKey of methanol;hydrate?
The InChIKey is GBMDVOWEEQVZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.H2O/c1-2;/h2H,1H3;1H2.
What are the key properties of methanol;hydrate?
methanol;hydrate has a molecular weight of 50.06 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;hydrate is sourced from PubChem (CID 22242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).