butan-2-one;ethane;2-methylpropane

C10H24O — CID 145444223

IUPACbutan-2-one;ethane;2-methylpropane
SMILESCC.CC(C)C.CCC(C)=O
InChIInChI=1S/C4H8O.C4H10.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyPLLZCENMYCRCHO-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.67
Rot. Bonds1

About butan-2-one;ethane;2-methylpropane

butan-2-one;ethane;2-methylpropane (PubChem CID 145444223) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is butan-2-one;ethane;2-methylpropane.

Molecular Properties

Compound Namebutan-2-one;ethane;2-methylpropane
PubChem CID145444223
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Namebutan-2-one;ethane;2-methylpropane
SMILESCC.CC(C)C.CCC(C)=O
InChIInChI=1S/C4H8O.C4H10.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyPLLZCENMYCRCHO-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butan-2-one;ethane
CID 158905935
butan-2-one;ethane;propane
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butan-2-one;1,1-dichloroethane
CID 22157903
butan-2-one;ethane;methanamine
CID 172563476
bis(butan-2-one);methane
CID 160665705
butan-2-one;N,N-dimethylmethanamine;ethane
CID 159619561
butan-2-one;oxotin
CID 57474512
acetylene;butan-2-one
CID 145415849
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;methanol;hydrate
CID 18949731
butane-2,3-dione;butan-2-one
CID 158086231

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane;2-methylpropane?
The IUPAC name of butan-2-one;ethane;2-methylpropane (CID 145444223) is butan-2-one;ethane;2-methylpropane.
What is the SMILES notation for butan-2-one;ethane;2-methylpropane?
The canonical SMILES for butan-2-one;ethane;2-methylpropane is CC.CC(C)C.CCC(C)=O.
What is the InChIKey of butan-2-one;ethane;2-methylpropane?
The InChIKey is PLLZCENMYCRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H10.C2H6/c1-3-4(2)5;1-4(2)3;1-2/h3H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of butan-2-one;ethane;2-methylpropane?
butan-2-one;ethane;2-methylpropane has a molecular weight of 160.30 g/mol, XLogP of 3.67, 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;2-methylpropane is sourced from PubChem (CID 145444223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).