ethanol;methanol;propan-2-one

C6H16O3 — CID 22056824

IUPACethanol;methanol;propan-2-one
SMILESCC(C)=O.CCO.CO
InChIInChI=1S/C3H6O.C2H6O.CH4O/c1-3(2)4;1-2-3;1-2/h1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyYJVCRVPZGVVAEQ-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.20
Rot. Bonds

About ethanol;methanol;propan-2-one

ethanol;methanol;propan-2-one (PubChem CID 22056824) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is ethanol;methanol;propan-2-one.

Molecular Properties

Compound Nameethanol;methanol;propan-2-one
PubChem CID22056824
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Nameethanol;methanol;propan-2-one
SMILESCC(C)=O.CCO.CO
InChIInChI=1S/C3H6O.C2H6O.CH4O/c1-3(2)4;1-2-3;1-2/h1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyYJVCRVPZGVVAEQ-UHFFFAOYSA-N
XLogP0.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;methanol;propan-2-one?
The IUPAC name of ethanol;methanol;propan-2-one (CID 22056824) is ethanol;methanol;propan-2-one.
What is the SMILES notation for ethanol;methanol;propan-2-one?
The canonical SMILES for ethanol;methanol;propan-2-one is CC(C)=O.CCO.CO.
What is the InChIKey of ethanol;methanol;propan-2-one?
The InChIKey is YJVCRVPZGVVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H6O.CH4O/c1-3(2)4;1-2-3;1-2/h1-2H3;3H,2H2,1H3;2H,1H3.
What are the key properties of ethanol;methanol;propan-2-one?
ethanol;methanol;propan-2-one has a molecular weight of 136.19 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanol;propan-2-one is sourced from PubChem (CID 22056824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).