acetic acid;propane-1,2,3-triol;propan-2-one

C8H18O6 — CID 158983887

IUPACacetic acid;propane-1,2,3-triol;propan-2-one
SMILESCC(=O)O.CC(C)=O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O.C2H4O2/c4-1-3(6)2-5;1-3(2)4;1-2(3)4/h3-6H,1-2H2;1-2H3;1H3,(H,3,4)
InChIKeyJPIGCDFPBFXYHR-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.98
Rot. Bonds2

About acetic acid;propane-1,2,3-triol;propan-2-one

acetic acid;propane-1,2,3-triol;propan-2-one (PubChem CID 158983887) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is acetic acid;propane-1,2,3-triol;propan-2-one.

Molecular Properties

Compound Nameacetic acid;propane-1,2,3-triol;propan-2-one
PubChem CID158983887
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Nameacetic acid;propane-1,2,3-triol;propan-2-one
SMILESCC(=O)O.CC(C)=O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O.C2H4O2/c4-1-3(6)2-5;1-3(2)4;1-2(3)4/h3-6H,1-2H2;1-2H3;1H3,(H,3,4)
InChIKeyJPIGCDFPBFXYHR-UHFFFAOYSA-N
XLogP-0.98
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;propane-1,2,3-triol;propan-2-one?
The IUPAC name of acetic acid;propane-1,2,3-triol;propan-2-one (CID 158983887) is acetic acid;propane-1,2,3-triol;propan-2-one.
What is the SMILES notation for acetic acid;propane-1,2,3-triol;propan-2-one?
The canonical SMILES for acetic acid;propane-1,2,3-triol;propan-2-one is CC(=O)O.CC(C)=O.OCC(O)CO.
What is the InChIKey of acetic acid;propane-1,2,3-triol;propan-2-one?
The InChIKey is JPIGCDFPBFXYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H6O.C2H4O2/c4-1-3(6)2-5;1-3(2)4;1-2(3)4/h3-6H,1-2H2;1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;propane-1,2,3-triol;propan-2-one?
acetic acid;propane-1,2,3-triol;propan-2-one has a molecular weight of 210.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;propane-1,2,3-triol;propan-2-one is sourced from PubChem (CID 158983887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).