butan-2-one;ethane;propane

C12H30O — CID 169173049

IUPACbutan-2-one;ethane;propane
SMILESCC.CCC.CCC.CCC(C)=O
InChIInChI=1S/C4H8O.2C3H8.C2H6/c1-3-4(2)5;2*1-3-2;1-2/h3H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyCBRVDJYSVQAGTE-UHFFFAOYSA-N
MW190.37 g/mol
LogP4.84
Rot. Bonds1

About butan-2-one;ethane;propane

butan-2-one;ethane;propane (PubChem CID 169173049) has the molecular formula C12H30O and a molecular weight of 190.37 g/mol. Its IUPAC name is butan-2-one;ethane;propane.

Molecular Properties

Compound Namebutan-2-one;ethane;propane
PubChem CID169173049
Molecular FormulaC12H30O
Molecular Weight190.37 g/mol
Exact Mass190.23
IUPAC Namebutan-2-one;ethane;propane
SMILESCC.CCC.CCC.CCC(C)=O
InChIInChI=1S/C4H8O.2C3H8.C2H6/c1-3-4(2)5;2*1-3-2;1-2/h3H2,1-2H3;2*3H2,1-2H3;1-2H3
InChIKeyCBRVDJYSVQAGTE-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butan-2-one;ethane
CID 158905935
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;cyclohexane;propane
CID 90815721
butan-2-one;N,N-dimethylmethanamine;ethane
CID 159619561
butan-2-one;ethane;1-methylsulfonylethane;propane
CID 159716961
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;oxotin
CID 57474512
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
acetylene;butan-2-one
CID 145415849

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane;propane?
The IUPAC name of butan-2-one;ethane;propane (CID 169173049) is butan-2-one;ethane;propane.
What is the SMILES notation for butan-2-one;ethane;propane?
The canonical SMILES for butan-2-one;ethane;propane is CC.CCC.CCC.CCC(C)=O.
What is the InChIKey of butan-2-one;ethane;propane?
The InChIKey is CBRVDJYSVQAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2C3H8.C2H6/c1-3-4(2)5;2*1-3-2;1-2/h3H2,1-2H3;2*3H2,1-2H3;1-2H3.
What are the key properties of butan-2-one;ethane;propane?
butan-2-one;ethane;propane has a molecular weight of 190.37 g/mol, XLogP of 4.84, 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;propane is sourced from PubChem (CID 169173049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).