ethoxyethane;methanol;propan-2-one

C8H20O3 — CID 18412823

IUPACethoxyethane;methanol;propan-2-one
SMILESCC(C)=O.CCOCC.CO
InChIInChI=1S/C4H10O.C3H6O.CH4O/c1-3-5-4-2;1-3(2)4;1-2/h3-4H2,1-2H3;1-2H3;2H,1H3
InChIKeyVVBOMPMTWAYUQB-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.25
Rot. Bonds2

About ethoxyethane;methanol;propan-2-one

ethoxyethane;methanol;propan-2-one (PubChem CID 18412823) has the molecular formula C8H20O3 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethoxyethane;methanol;propan-2-one.

Molecular Properties

Compound Nameethoxyethane;methanol;propan-2-one
PubChem CID18412823
Molecular FormulaC8H20O3
Molecular Weight164.25 g/mol
Exact Mass164.14
IUPAC Nameethoxyethane;methanol;propan-2-one
SMILESCC(C)=O.CCOCC.CO
InChIInChI=1S/C4H10O.C3H6O.CH4O/c1-3-5-4-2;1-3(2)4;1-2/h3-4H2,1-2H3;1-2H3;2H,1H3
InChIKeyVVBOMPMTWAYUQB-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methanol;propan-2-one?
The IUPAC name of ethoxyethane;methanol;propan-2-one (CID 18412823) is ethoxyethane;methanol;propan-2-one.
What is the SMILES notation for ethoxyethane;methanol;propan-2-one?
The canonical SMILES for ethoxyethane;methanol;propan-2-one is CC(C)=O.CCOCC.CO.
What is the InChIKey of ethoxyethane;methanol;propan-2-one?
The InChIKey is VVBOMPMTWAYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O.CH4O/c1-3-5-4-2;1-3(2)4;1-2/h3-4H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethoxyethane;methanol;propan-2-one?
ethoxyethane;methanol;propan-2-one has a molecular weight of 164.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methanol;propan-2-one is sourced from PubChem (CID 18412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).