acetic acid;ethyl acetate;methanol;hydrate

C7H18O6 — CID 22501395

IUPACacetic acid;ethyl acetate;methanol;hydrate
SMILESCC(=O)O.CCOC(C)=O.CO.O
InChIInChI=1S/C4H8O2.C2H4O2.CH4O.H2O/c1-3-6-4(2)5;1-2(3)4;1-2;/h3H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyOUWPRBIEBFOLJW-UHFFFAOYSA-N
MW198.21 g/mol
LogP-0.56
Rot. Bonds1

About acetic acid;ethyl acetate;methanol;hydrate

acetic acid;ethyl acetate;methanol;hydrate (PubChem CID 22501395) has the molecular formula C7H18O6 and a molecular weight of 198.21 g/mol. Its IUPAC name is acetic acid;ethyl acetate;methanol;hydrate.

Molecular Properties

Compound Nameacetic acid;ethyl acetate;methanol;hydrate
PubChem CID22501395
Molecular FormulaC7H18O6
Molecular Weight198.21 g/mol
Exact Mass198.11
IUPAC Nameacetic acid;ethyl acetate;methanol;hydrate
SMILESCC(=O)O.CCOC(C)=O.CO.O
InChIInChI=1S/C4H8O2.C2H4O2.CH4O.H2O/c1-3-6-4(2)5;1-2(3)4;1-2;/h3H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyOUWPRBIEBFOLJW-UHFFFAOYSA-N
XLogP-0.56
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl acetate;methanol;hydrate
CID 87229017
acetic acid;ethyl acetate;hydroiodide
CID 174390773
acetic acid;azane;ethyl acetate
CID 25050725
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;tetrahydrate
CID 173019761
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl acetate;methanol;hydrate?
The IUPAC name of acetic acid;ethyl acetate;methanol;hydrate (CID 22501395) is acetic acid;ethyl acetate;methanol;hydrate.
What is the SMILES notation for acetic acid;ethyl acetate;methanol;hydrate?
The canonical SMILES for acetic acid;ethyl acetate;methanol;hydrate is CC(=O)O.CCOC(C)=O.CO.O.
What is the InChIKey of acetic acid;ethyl acetate;methanol;hydrate?
The InChIKey is OUWPRBIEBFOLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O2.CH4O.H2O/c1-3-6-4(2)5;1-2(3)4;1-2;/h3H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2.
What are the key properties of acetic acid;ethyl acetate;methanol;hydrate?
acetic acid;ethyl acetate;methanol;hydrate has a molecular weight of 198.21 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl acetate;methanol;hydrate is sourced from PubChem (CID 22501395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).