acetic acid;ethyl acetate;methanol;toluene

C14H24O5 — CID 19857576

IUPACacetic acid;ethyl acetate;methanol;toluene
SMILESCC(=O)O.CCOC(C)=O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8O2.C2H4O2.CH4O/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;1-2(3)4;1-2/h2-6H,1H3;3H2,1-2H3;1H3,(H,3,4);2H,1H3
InChIKeyYWMJXSMAINDRPI-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.26
Rot. Bonds1

About acetic acid;ethyl acetate;methanol;toluene

acetic acid;ethyl acetate;methanol;toluene (PubChem CID 19857576) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is acetic acid;ethyl acetate;methanol;toluene.

Molecular Properties

Compound Nameacetic acid;ethyl acetate;methanol;toluene
PubChem CID19857576
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameacetic acid;ethyl acetate;methanol;toluene
SMILESCC(=O)O.CCOC(C)=O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8O2.C2H4O2.CH4O/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;1-2(3)4;1-2/h2-6H,1H3;3H2,1-2H3;1H3,(H,3,4);2H,1H3
InChIKeyYWMJXSMAINDRPI-UHFFFAOYSA-N
XLogP2.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl acetate;methanol;toluene?
The IUPAC name of acetic acid;ethyl acetate;methanol;toluene (CID 19857576) is acetic acid;ethyl acetate;methanol;toluene.
What is the SMILES notation for acetic acid;ethyl acetate;methanol;toluene?
The canonical SMILES for acetic acid;ethyl acetate;methanol;toluene is CC(=O)O.CCOC(C)=O.CO.Cc1ccccc1.
What is the InChIKey of acetic acid;ethyl acetate;methanol;toluene?
The InChIKey is YWMJXSMAINDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H8O2.C2H4O2.CH4O/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;1-2(3)4;1-2/h2-6H,1H3;3H2,1-2H3;1H3,(H,3,4);2H,1H3.
What are the key properties of acetic acid;ethyl acetate;methanol;toluene?
acetic acid;ethyl acetate;methanol;toluene has a molecular weight of 272.34 g/mol, XLogP of 2.26, 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;toluene is sourced from PubChem (CID 19857576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).