butan-2-one;ethane

C8H20O — CID 158905935

IUPACbutan-2-one;ethane
SMILESCC.CC.CCC(C)=O
InChIInChI=1S/C4H8O.2C2H6/c1-3-4(2)5;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyJGAVBPJFHKZNAS-UHFFFAOYSA-N
MW132.25 g/mol
LogP3.04
Rot. Bonds1

About butan-2-one;ethane

butan-2-one;ethane (PubChem CID 158905935) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is butan-2-one;ethane.

Molecular Properties

Compound Namebutan-2-one;ethane
PubChem CID158905935
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Namebutan-2-one;ethane
SMILESCC.CC.CCC(C)=O
InChIInChI=1S/C4H8O.2C2H6/c1-3-4(2)5;2*1-2/h3H2,1-2H3;2*1-2H3
InChIKeyJGAVBPJFHKZNAS-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butan-2-one;ethane;propane
CID 169173049
butan-2-one;ethane;methanamine
CID 172563476
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane;2-methylpropane
CID 145444223
butan-2-one;N,N-dimethylmethanamine;ethane
CID 159619561
acetylene;butan-2-one
CID 145415849
butan-2-one;oxotin
CID 57474512
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
butane-2,3-dione;butan-2-one
CID 158086231
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane?
The IUPAC name of butan-2-one;ethane (CID 158905935) is butan-2-one;ethane.
What is the SMILES notation for butan-2-one;ethane?
The canonical SMILES for butan-2-one;ethane is CC.CC.CCC(C)=O.
What is the InChIKey of butan-2-one;ethane?
The InChIKey is JGAVBPJFHKZNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2C2H6/c1-3-4(2)5;2*1-2/h3H2,1-2H3;2*1-2H3.
What are the key properties of butan-2-one;ethane?
butan-2-one;ethane has a molecular weight of 132.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethane is sourced from PubChem (CID 158905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).