butan-2-one;propan-2-one

C7H14O2 — CID 22381885

IUPACbutan-2-one;propan-2-one
SMILESCC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O/c1-3-4(2)5;1-3(2)4/h3H2,1-2H3;1-2H3
InChIKeyGMGLYSIINJPYLI-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.58
Rot. Bonds1

About butan-2-one;propan-2-one

butan-2-one;propan-2-one (PubChem CID 22381885) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is butan-2-one;propan-2-one.

Molecular Properties

Compound Namebutan-2-one;propan-2-one
PubChem CID22381885
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namebutan-2-one;propan-2-one
SMILESCC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O/c1-3-4(2)5;1-3(2)4/h3H2,1-2H3;1-2H3
InChIKeyGMGLYSIINJPYLI-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;propan-2-one?
The IUPAC name of butan-2-one;propan-2-one (CID 22381885) is butan-2-one;propan-2-one.
What is the SMILES notation for butan-2-one;propan-2-one?
The canonical SMILES for butan-2-one;propan-2-one is CC(C)=O.CCC(C)=O.
What is the InChIKey of butan-2-one;propan-2-one?
The InChIKey is GMGLYSIINJPYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O/c1-3-4(2)5;1-3(2)4/h3H2,1-2H3;1-2H3.
What are the key properties of butan-2-one;propan-2-one?
butan-2-one;propan-2-one has a molecular weight of 130.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;propan-2-one is sourced from PubChem (CID 22381885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).