ethyl acetate;methoxymethane;propane-1,2-diol

C9H22O5 — CID 175107858

IUPACethyl acetate;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC(C)=O.COC
InChIInChI=1S/C4H8O2.C3H8O2.C2H6O/c1-3-6-4(2)5;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-5H,2H2,1H3;1-2H3
InChIKeyLRFDELBONNPHBV-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.19
Rot. Bonds2

About ethyl acetate;methoxymethane;propane-1,2-diol

ethyl acetate;methoxymethane;propane-1,2-diol (PubChem CID 175107858) has the molecular formula C9H22O5 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl acetate;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameethyl acetate;methoxymethane;propane-1,2-diol
PubChem CID175107858
Molecular FormulaC9H22O5
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Nameethyl acetate;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC(C)=O.COC
InChIInChI=1S/C4H8O2.C3H8O2.C2H6O/c1-3-6-4(2)5;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-5H,2H2,1H3;1-2H3
InChIKeyLRFDELBONNPHBV-UHFFFAOYSA-N
XLogP0.19
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;methoxymethane;propane-1,2-diol?
The IUPAC name of ethyl acetate;methoxymethane;propane-1,2-diol (CID 175107858) is ethyl acetate;methoxymethane;propane-1,2-diol.
What is the SMILES notation for ethyl acetate;methoxymethane;propane-1,2-diol?
The canonical SMILES for ethyl acetate;methoxymethane;propane-1,2-diol is CC(O)CO.CCOC(C)=O.COC.
What is the InChIKey of ethyl acetate;methoxymethane;propane-1,2-diol?
The InChIKey is LRFDELBONNPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8O2.C2H6O/c1-3-6-4(2)5;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of ethyl acetate;methoxymethane;propane-1,2-diol?
ethyl acetate;methoxymethane;propane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 175107858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).