methoxymethane;propane-1,2-diol;propan-2-one

C8H20O4 — CID 19063264

IUPACmethoxymethane;propane-1,2-diol;propan-2-one
SMILESCC(C)=O.CC(O)CO.COC
InChIInChI=1S/C3H8O2.C3H6O.C2H6O/c1-3(5)2-4;1-3(2)4;1-3-2/h3-5H,2H2,1H3;1-2H3;1-2H3
InChIKeyYAJAQYVGWXMLQQ-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.22
Rot. Bonds1

About methoxymethane;propane-1,2-diol;propan-2-one

methoxymethane;propane-1,2-diol;propan-2-one (PubChem CID 19063264) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is methoxymethane;propane-1,2-diol;propan-2-one.

Molecular Properties

Compound Namemethoxymethane;propane-1,2-diol;propan-2-one
PubChem CID19063264
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Namemethoxymethane;propane-1,2-diol;propan-2-one
SMILESCC(C)=O.CC(O)CO.COC
InChIInChI=1S/C3H8O2.C3H6O.C2H6O/c1-3(5)2-4;1-3(2)4;1-3-2/h3-5H,2H2,1H3;1-2H3;1-2H3
InChIKeyYAJAQYVGWXMLQQ-UHFFFAOYSA-N
XLogP0.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;propane-1,2-diol;propan-2-one?
The IUPAC name of methoxymethane;propane-1,2-diol;propan-2-one (CID 19063264) is methoxymethane;propane-1,2-diol;propan-2-one.
What is the SMILES notation for methoxymethane;propane-1,2-diol;propan-2-one?
The canonical SMILES for methoxymethane;propane-1,2-diol;propan-2-one is CC(C)=O.CC(O)CO.COC.
What is the InChIKey of methoxymethane;propane-1,2-diol;propan-2-one?
The InChIKey is YAJAQYVGWXMLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6O.C2H6O/c1-3(5)2-4;1-3(2)4;1-3-2/h3-5H,2H2,1H3;1-2H3;1-2H3.
What are the key properties of methoxymethane;propane-1,2-diol;propan-2-one?
methoxymethane;propane-1,2-diol;propan-2-one has a molecular weight of 180.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;propane-1,2-diol;propan-2-one is sourced from PubChem (CID 19063264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).