butan-2-one;propan-2-ol;propan-2-one;toluene

C17H30O3 — CID 159618290

IUPACbutan-2-one;propan-2-ol;propan-2-one;toluene
SMILESCC(C)=O.CC(C)O.CCC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8O.C3H8O.C3H6O/c1-7-5-3-2-4-6-7;1-3-4(2)5;2*1-3(2)4/h2-6H,1H3;3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyMNOJXFIYRJWIEE-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.96
Rot. Bonds1

About butan-2-one;propan-2-ol;propan-2-one;toluene

butan-2-one;propan-2-ol;propan-2-one;toluene (PubChem CID 159618290) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is butan-2-one;propan-2-ol;propan-2-one;toluene.

Molecular Properties

Compound Namebutan-2-one;propan-2-ol;propan-2-one;toluene
PubChem CID159618290
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Namebutan-2-one;propan-2-ol;propan-2-one;toluene
SMILESCC(C)=O.CC(C)O.CCC(C)=O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H8O.C3H8O.C3H6O/c1-7-5-3-2-4-6-7;1-3-4(2)5;2*1-3(2)4/h2-6H,1H3;3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyMNOJXFIYRJWIEE-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;propan-2-ol;propan-2-one;toluene?
The IUPAC name of butan-2-one;propan-2-ol;propan-2-one;toluene (CID 159618290) is butan-2-one;propan-2-ol;propan-2-one;toluene.
What is the SMILES notation for butan-2-one;propan-2-ol;propan-2-one;toluene?
The canonical SMILES for butan-2-one;propan-2-ol;propan-2-one;toluene is CC(C)=O.CC(C)O.CCC(C)=O.Cc1ccccc1.
What is the InChIKey of butan-2-one;propan-2-ol;propan-2-one;toluene?
The InChIKey is MNOJXFIYRJWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H8O.C3H8O.C3H6O/c1-7-5-3-2-4-6-7;1-3-4(2)5;2*1-3(2)4/h2-6H,1H3;3H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of butan-2-one;propan-2-ol;propan-2-one;toluene?
butan-2-one;propan-2-ol;propan-2-one;toluene has a molecular weight of 282.42 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;propan-2-ol;propan-2-one;toluene is sourced from PubChem (CID 159618290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).