acetic acid;ethyl acetate;propan-2-ol

C9H20O5 — CID 23298224

IUPACacetic acid;ethyl acetate;propan-2-ol
SMILESCC(=O)O.CC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C3H8O.C2H4O2/c1-3-6-4(2)5;1-3(2)4;1-2(3)4/h3H2,1-2H3;3-4H,1-2H3;1H3,(H,3,4)
InChIKeyJNJDYRDDQVEJLH-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.05
Rot. Bonds1

About acetic acid;ethyl acetate;propan-2-ol

acetic acid;ethyl acetate;propan-2-ol (PubChem CID 23298224) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is acetic acid;ethyl acetate;propan-2-ol.

Molecular Properties

Compound Nameacetic acid;ethyl acetate;propan-2-ol
PubChem CID23298224
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Nameacetic acid;ethyl acetate;propan-2-ol
SMILESCC(=O)O.CC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C3H8O.C2H4O2/c1-3-6-4(2)5;1-3(2)4;1-2(3)4/h3H2,1-2H3;3-4H,1-2H3;1H3,(H,3,4)
InChIKeyJNJDYRDDQVEJLH-UHFFFAOYSA-N
XLogP1.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl acetate;propan-2-ol?
The IUPAC name of acetic acid;ethyl acetate;propan-2-ol (CID 23298224) is acetic acid;ethyl acetate;propan-2-ol.
What is the SMILES notation for acetic acid;ethyl acetate;propan-2-ol?
The canonical SMILES for acetic acid;ethyl acetate;propan-2-ol is CC(=O)O.CC(C)O.CCOC(C)=O.
What is the InChIKey of acetic acid;ethyl acetate;propan-2-ol?
The InChIKey is JNJDYRDDQVEJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8O.C2H4O2/c1-3-6-4(2)5;1-3(2)4;1-2(3)4/h3H2,1-2H3;3-4H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl acetate;propan-2-ol?
acetic acid;ethyl acetate;propan-2-ol has a molecular weight of 208.25 g/mol, XLogP of 1.05, 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;propan-2-ol is sourced from PubChem (CID 23298224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).