ethanol;methyl acetate;propan-2-ol;hydrate

C8H22O5 — CID 174971510

IUPACethanol;methyl acetate;propan-2-ol;hydrate
SMILESCC(C)O.CCO.COC(C)=O.O
InChIInChI=1S/C3H6O2.C3H8O.C2H6O.H2O/c1-3(4)5-2;1-3(2)4;1-2-3;/h1-2H3;3-4H,1-2H3;3H,2H2,1H3;1H2
InChIKeyRRSVYHIUXGOOCO-UHFFFAOYSA-N
MW198.26 g/mol
LogP-0.26
Rot. Bonds

About ethanol;methyl acetate;propan-2-ol;hydrate

ethanol;methyl acetate;propan-2-ol;hydrate (PubChem CID 174971510) has the molecular formula C8H22O5 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethanol;methyl acetate;propan-2-ol;hydrate.

Molecular Properties

Compound Nameethanol;methyl acetate;propan-2-ol;hydrate
PubChem CID174971510
Molecular FormulaC8H22O5
Molecular Weight198.26 g/mol
Exact Mass198.15
IUPAC Nameethanol;methyl acetate;propan-2-ol;hydrate
SMILESCC(C)O.CCO.COC(C)=O.O
InChIInChI=1S/C3H6O2.C3H8O.C2H6O.H2O/c1-3(4)5-2;1-3(2)4;1-2-3;/h1-2H3;3-4H,1-2H3;3H,2H2,1H3;1H2
InChIKeyRRSVYHIUXGOOCO-UHFFFAOYSA-N
XLogP-0.26
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;methanol;propan-2-ol;propan-2-one
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ethyl acetate;propan-2-ol;hydrate
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methanol;methyl acetate;2-methylpropan-1-ol
CID 87865598
2-chloropropane;methyl acetate
CID 157293612
deuteride;methyl acetate;hydrate
CID 160772266
methyl acetate;ruthenium
CID 160799101
ethanol;ethyl acetate;hydrate
CID 86601158
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethanol;2-hydroxypropyl acetate
CID 88717262
methyl acetate;titanium
CID 87665287
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774

Frequently Asked Questions

What is the IUPAC name of ethanol;methyl acetate;propan-2-ol;hydrate?
The IUPAC name of ethanol;methyl acetate;propan-2-ol;hydrate (CID 174971510) is ethanol;methyl acetate;propan-2-ol;hydrate.
What is the SMILES notation for ethanol;methyl acetate;propan-2-ol;hydrate?
The canonical SMILES for ethanol;methyl acetate;propan-2-ol;hydrate is CC(C)O.CCO.COC(C)=O.O.
What is the InChIKey of ethanol;methyl acetate;propan-2-ol;hydrate?
The InChIKey is RRSVYHIUXGOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C3H8O.C2H6O.H2O/c1-3(4)5-2;1-3(2)4;1-2-3;/h1-2H3;3-4H,1-2H3;3H,2H2,1H3;1H2.
What are the key properties of ethanol;methyl acetate;propan-2-ol;hydrate?
ethanol;methyl acetate;propan-2-ol;hydrate has a molecular weight of 198.26 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methyl acetate;propan-2-ol;hydrate is sourced from PubChem (CID 174971510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).