methanol;propan-2-one;hydrate

C4H12O3 — CID 86590524

IUPACmethanol;propan-2-one;hydrate
SMILESCC(C)=O.CO.O
InChIInChI=1S/C3H6O.CH4O.H2O/c1-3(2)4;1-2;/h1-2H3;2H,1H3;1H2
InChIKeyAAMWFMOHRYFSEU-UHFFFAOYSA-N
MW108.14 g/mol
LogP-0.62
Rot. Bonds

About methanol;propan-2-one;hydrate

methanol;propan-2-one;hydrate (PubChem CID 86590524) has the molecular formula C4H12O3 and a molecular weight of 108.14 g/mol. Its IUPAC name is methanol;propan-2-one;hydrate.

Molecular Properties

Compound Namemethanol;propan-2-one;hydrate
PubChem CID86590524
Molecular FormulaC4H12O3
Molecular Weight108.14 g/mol
Exact Mass108.08
IUPAC Namemethanol;propan-2-one;hydrate
SMILESCC(C)=O.CO.O
InChIInChI=1S/C3H6O.CH4O.H2O/c1-3(2)4;1-2;/h1-2H3;2H,1H3;1H2
InChIKeyAAMWFMOHRYFSEU-UHFFFAOYSA-N
XLogP-0.62
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanol;propan-2-one;hydrate?
The IUPAC name of methanol;propan-2-one;hydrate (CID 86590524) is methanol;propan-2-one;hydrate.
What is the SMILES notation for methanol;propan-2-one;hydrate?
The canonical SMILES for methanol;propan-2-one;hydrate is CC(C)=O.CO.O.
What is the InChIKey of methanol;propan-2-one;hydrate?
The InChIKey is AAMWFMOHRYFSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH4O.H2O/c1-3(2)4;1-2;/h1-2H3;2H,1H3;1H2.
What are the key properties of methanol;propan-2-one;hydrate?
methanol;propan-2-one;hydrate has a molecular weight of 108.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propan-2-one;hydrate is sourced from PubChem (CID 86590524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).