acetic acid;methanol;methoxymethane;propane-1,2-diol

C8H22O6 — CID 174829154

IUPACacetic acid;methanol;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.CO.COC
InChIInChI=1S/C3H8O2.C2H4O2.C2H6O.CH4O/c1-3(5)2-4;1-2(3)4;1-3-2;1-2/h3-5H,2H2,1H3;1H3,(H,3,4);1-2H3;2H,1H3
InChIKeyZFZQEVJSBDBUCK-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.68
Rot. Bonds1

About acetic acid;methanol;methoxymethane;propane-1,2-diol

acetic acid;methanol;methoxymethane;propane-1,2-diol (PubChem CID 174829154) has the molecular formula C8H22O6 and a molecular weight of 214.26 g/mol. Its IUPAC name is acetic acid;methanol;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;methanol;methoxymethane;propane-1,2-diol
PubChem CID174829154
Molecular FormulaC8H22O6
Molecular Weight214.26 g/mol
Exact Mass214.14
IUPAC Nameacetic acid;methanol;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.CO.COC
InChIInChI=1S/C3H8O2.C2H4O2.C2H6O.CH4O/c1-3(5)2-4;1-2(3)4;1-3-2;1-2/h3-5H,2H2,1H3;1H3,(H,3,4);1-2H3;2H,1H3
InChIKeyZFZQEVJSBDBUCK-UHFFFAOYSA-N
XLogP-0.68
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;methoxymethane;propane-1,2-diol?
The IUPAC name of acetic acid;methanol;methoxymethane;propane-1,2-diol (CID 174829154) is acetic acid;methanol;methoxymethane;propane-1,2-diol.
What is the SMILES notation for acetic acid;methanol;methoxymethane;propane-1,2-diol?
The canonical SMILES for acetic acid;methanol;methoxymethane;propane-1,2-diol is CC(=O)O.CC(O)CO.CO.COC.
What is the InChIKey of acetic acid;methanol;methoxymethane;propane-1,2-diol?
The InChIKey is ZFZQEVJSBDBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H4O2.C2H6O.CH4O/c1-3(5)2-4;1-2(3)4;1-3-2;1-2/h3-5H,2H2,1H3;1H3,(H,3,4);1-2H3;2H,1H3.
What are the key properties of acetic acid;methanol;methoxymethane;propane-1,2-diol?
acetic acid;methanol;methoxymethane;propane-1,2-diol has a molecular weight of 214.26 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 174829154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).