butan-2-one;methane;propan-2-one

C8H18O2 — CID 157260382

IUPACbutan-2-one;methane;propan-2-one
SMILESC.CC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O.CH4/c1-3-4(2)5;1-3(2)4;/h3H2,1-2H3;1-2H3;1H4
InChIKeyAXJPLVYMBKOFQU-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.22
Rot. Bonds1

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

butan-2-one;methane;propan-2-one (PubChem CID 157260382) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is butan-2-one;methane;propan-2-one.

Molecular Properties

Compound Namebutan-2-one;methane;propan-2-one
PubChem CID157260382
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Namebutan-2-one;methane;propan-2-one
SMILESC.CC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O.CH4/c1-3-4(2)5;1-3(2)4;/h3H2,1-2H3;1-2H3;1H4
InChIKeyAXJPLVYMBKOFQU-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-one;methane;propan-2-one
CID 159882043
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;oxotin
CID 57474512
acetylene;butan-2-one
CID 145415849
butan-2-one;ethane;propane
CID 169173049
butane-2,3-dione;butan-2-one
CID 158086231
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
boric acid;butan-2-one
CID 88852757
butan-2-one;ethane;methanamine
CID 172563476
butan-2-one;ethanamine
CID 160998240

Frequently Asked Questions

What is the IUPAC name of butan-2-one;methane;propan-2-one?
The IUPAC name of butan-2-one;methane;propan-2-one (CID 157260382) is butan-2-one;methane;propan-2-one.
What is the SMILES notation for butan-2-one;methane;propan-2-one?
The canonical SMILES for butan-2-one;methane;propan-2-one is C.CC(C)=O.CCC(C)=O.
What is the InChIKey of butan-2-one;methane;propan-2-one?
The InChIKey is AXJPLVYMBKOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O.CH4/c1-3-4(2)5;1-3(2)4;/h3H2,1-2H3;1-2H3;1H4.
What are the key properties of butan-2-one;methane;propan-2-one?
butan-2-one;methane;propan-2-one has a molecular weight of 146.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;methane;propan-2-one is sourced from PubChem (CID 157260382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).