benzene;ethane;ethyl acetate;methoxymethane;tungsten

C20H40O6W — CID 157497043

IUPACbenzene;ethane;ethyl acetate;methoxymethane;tungsten
SMILESCC.CCOC(C)=O.CCOC(C)=O.COC.COC.[W].c1ccccc1
InChIInChI=1S/C6H6.2C4H8O2.2C2H6O.C2H6.W/c1-2-4-6-5-3-1;2*1-3-6-4(2)5;2*1-3-2;1-2;/h1-6H;2*3H2,1-2H3;2*1-2H3;1-2H3;
InChIKeyBXYOGFBTRCOMLD-UHFFFAOYSA-N
MW560.37 g/mol
LogP4.37
Rot. Bonds2

About benzene;ethane;ethyl acetate;methoxymethane;tungsten

benzene;ethane;ethyl acetate;methoxymethane;tungsten (PubChem CID 157497043) has the molecular formula C20H40O6W and a molecular weight of 560.37 g/mol. Its IUPAC name is benzene;ethane;ethyl acetate;methoxymethane;tungsten.

Molecular Properties

Compound Namebenzene;ethane;ethyl acetate;methoxymethane;tungsten
PubChem CID157497043
Molecular FormulaC20H40O6W
Molecular Weight560.37 g/mol
Exact Mass560.23
IUPAC Namebenzene;ethane;ethyl acetate;methoxymethane;tungsten
SMILESCC.CCOC(C)=O.CCOC(C)=O.COC.COC.[W].c1ccccc1
InChIInChI=1S/C6H6.2C4H8O2.2C2H6O.C2H6.W/c1-2-4-6-5-3-1;2*1-3-6-4(2)5;2*1-3-2;1-2;/h1-6H;2*3H2,1-2H3;2*1-2H3;1-2H3;
InChIKeyBXYOGFBTRCOMLD-UHFFFAOYSA-N
XLogP4.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;ethyl acetate;methoxymethane;tungsten?
The IUPAC name of benzene;ethane;ethyl acetate;methoxymethane;tungsten (CID 157497043) is benzene;ethane;ethyl acetate;methoxymethane;tungsten.
What is the SMILES notation for benzene;ethane;ethyl acetate;methoxymethane;tungsten?
The canonical SMILES for benzene;ethane;ethyl acetate;methoxymethane;tungsten is CC.CCOC(C)=O.CCOC(C)=O.COC.COC.[W].c1ccccc1.
What is the InChIKey of benzene;ethane;ethyl acetate;methoxymethane;tungsten?
The InChIKey is BXYOGFBTRCOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C4H8O2.2C2H6O.C2H6.W/c1-2-4-6-5-3-1;2*1-3-6-4(2)5;2*1-3-2;1-2;/h1-6H;2*3H2,1-2H3;2*1-2H3;1-2H3;.
What are the key properties of benzene;ethane;ethyl acetate;methoxymethane;tungsten?
benzene;ethane;ethyl acetate;methoxymethane;tungsten has a molecular weight of 560.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;ethyl acetate;methoxymethane;tungsten is sourced from PubChem (CID 157497043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).