acetic acid;butan-2-ol;ethyl acetate

C10H22O5 — CID 174593363

IUPACacetic acid;butan-2-ol;ethyl acetate
SMILESCC(=O)O.CCC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C4H10O.C2H4O2/c1-3-6-4(2)5;1-3-4(2)5;1-2(3)4/h3H2,1-2H3;4-5H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyZYPZTBCOPIOLAN-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.44
Rot. Bonds2

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

acetic acid;butan-2-ol;ethyl acetate (PubChem CID 174593363) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is acetic acid;butan-2-ol;ethyl acetate.

Molecular Properties

Compound Nameacetic acid;butan-2-ol;ethyl acetate
PubChem CID174593363
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Nameacetic acid;butan-2-ol;ethyl acetate
SMILESCC(=O)O.CCC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.C4H10O.C2H4O2/c1-3-6-4(2)5;1-3-4(2)5;1-2(3)4/h3H2,1-2H3;4-5H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyZYPZTBCOPIOLAN-UHFFFAOYSA-N
XLogP1.44
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(butan-2-ol);ethyl acetate
CID 139558654
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
ethyl acetate;bis(propan-2-ol)
CID 87186921
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773
acetic acid;bis(butan-2-ol)
CID 139558658
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395
ethyl acetate;propan-2-ol;hydrate
CID 22041847
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954
ethyl acetate;ethyl hydrogen carbonate;propan-2-ol
CID 87097061
acetic acid;chloroform;ethyl acetate;methanol
CID 21192387
azane;carbonic acid;ethyl acetate
CID 175094152

Frequently Asked Questions

What is the IUPAC name of acetic acid;butan-2-ol;ethyl acetate?
The IUPAC name of acetic acid;butan-2-ol;ethyl acetate (CID 174593363) is acetic acid;butan-2-ol;ethyl acetate.
What is the SMILES notation for acetic acid;butan-2-ol;ethyl acetate?
The canonical SMILES for acetic acid;butan-2-ol;ethyl acetate is CC(=O)O.CCC(C)O.CCOC(C)=O.
What is the InChIKey of acetic acid;butan-2-ol;ethyl acetate?
The InChIKey is ZYPZTBCOPIOLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H10O.C2H4O2/c1-3-6-4(2)5;1-3-4(2)5;1-2(3)4/h3H2,1-2H3;4-5H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;butan-2-ol;ethyl acetate?
acetic acid;butan-2-ol;ethyl acetate has a molecular weight of 222.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butan-2-ol;ethyl acetate is sourced from PubChem (CID 174593363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).