methanol;dihydrate

CH8O3 — CID 57498073

IUPACmethanol;dihydrate
SMILESCO.O.O
InChIInChI=1S/CH4O.2H2O/c1-2;;/h2H,1H3;2*1H2
InChIKeyTWETVNCREUJUBY-UHFFFAOYSA-N
MW68.07 g/mol
LogP-2.04
Rot. Bonds

About methanol;dihydrate

methanol;dihydrate (PubChem CID 57498073) has the molecular formula CH8O3 and a molecular weight of 68.07 g/mol. Its IUPAC name is methanol;dihydrate.

Molecular Properties

Compound Namemethanol;dihydrate
PubChem CID57498073
Molecular FormulaCH8O3
Molecular Weight68.07 g/mol
Exact Mass68.05
IUPAC Namemethanol;dihydrate
SMILESCO.O.O
InChIInChI=1S/CH4O.2H2O/c1-2;;/h2H,1H3;2*1H2
InChIKeyTWETVNCREUJUBY-UHFFFAOYSA-N
XLogP-2.04
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.07
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;dihydrate?
The IUPAC name of methanol;dihydrate (CID 57498073) is methanol;dihydrate.
What is the SMILES notation for methanol;dihydrate?
The canonical SMILES for methanol;dihydrate is CO.O.O.
What is the InChIKey of methanol;dihydrate?
The InChIKey is TWETVNCREUJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.2H2O/c1-2;;/h2H,1H3;2*1H2.
What are the key properties of methanol;dihydrate?
methanol;dihydrate has a molecular weight of 68.07 g/mol, XLogP of -2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;dihydrate is sourced from PubChem (CID 57498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).