bis(1-hydroxypropan-2-one);2-methoxyethanol

C9H20O6 — CID 88639054

IUPACbis(1-hydroxypropan-2-one);2-methoxyethanol
SMILESCC(=O)CO.CC(=O)CO.COCCO
InChIInChI=1S/C3H8O2.2C3H6O2/c1-5-3-2-4;2*1-3(5)2-4/h4H,2-3H2,1H3;2*4H,2H2,1H3
InChIKeyZMMZDODKGSOERX-UHFFFAOYSA-N
MW224.25 g/mol
LogP-1.24
Rot. Bonds4

About bis(1-hydroxypropan-2-one);2-methoxyethanol

bis(1-hydroxypropan-2-one);2-methoxyethanol (PubChem CID 88639054) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is bis(1-hydroxypropan-2-one);2-methoxyethanol.

Molecular Properties

Compound Namebis(1-hydroxypropan-2-one);2-methoxyethanol
PubChem CID88639054
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Namebis(1-hydroxypropan-2-one);2-methoxyethanol
SMILESCC(=O)CO.CC(=O)CO.COCCO
InChIInChI=1S/C3H8O2.2C3H6O2/c1-5-3-2-4;2*1-3(5)2-4/h4H,2-3H2,1H3;2*4H,2H2,1H3
InChIKeyZMMZDODKGSOERX-UHFFFAOYSA-N
XLogP-1.24
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
sodium 2-methoxyethanol
CID 21124383
2-methoxyethanol;sulfane
CID 174965249
bismuthane;2-methoxyethanol
CID 174782924
ethane;2-methoxyethanol
CID 175109361
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
hexan-2-one;2-methoxyethanol
CID 158133089
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
sodium;methanolate;2-methoxyethanol
CID 88740806
dimethylsilane;2-methoxyethanol
CID 174782781

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxypropan-2-one);2-methoxyethanol?
The IUPAC name of bis(1-hydroxypropan-2-one);2-methoxyethanol (CID 88639054) is bis(1-hydroxypropan-2-one);2-methoxyethanol.
What is the SMILES notation for bis(1-hydroxypropan-2-one);2-methoxyethanol?
The canonical SMILES for bis(1-hydroxypropan-2-one);2-methoxyethanol is CC(=O)CO.CC(=O)CO.COCCO.
What is the InChIKey of bis(1-hydroxypropan-2-one);2-methoxyethanol?
The InChIKey is ZMMZDODKGSOERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.2C3H6O2/c1-5-3-2-4;2*1-3(5)2-4/h4H,2-3H2,1H3;2*4H,2H2,1H3.
What are the key properties of bis(1-hydroxypropan-2-one);2-methoxyethanol?
bis(1-hydroxypropan-2-one);2-methoxyethanol has a molecular weight of 224.25 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxypropan-2-one);2-methoxyethanol is sourced from PubChem (CID 88639054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).