bis(butan-2-one);methane

C10H24O2 — CID 160665705

IUPACbis(butan-2-one);methane
SMILESC.C.CCC(C)=O.CCC(C)=O
InChIInChI=1S/2C4H8O.2CH4/c2*1-3-4(2)5;;/h2*3H2,1-2H3;2*1H4
InChIKeyRMGPZLWYLYWLSK-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.24
Rot. Bonds2

About bis(butan-2-one);methane

bis(butan-2-one);methane (PubChem CID 160665705) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is bis(butan-2-one);methane.

Molecular Properties

Compound Namebis(butan-2-one);methane
PubChem CID160665705
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namebis(butan-2-one);methane
SMILESC.C.CCC(C)=O.CCC(C)=O
InChIInChI=1S/2C4H8O.2CH4/c2*1-3-4(2)5;;/h2*3H2,1-2H3;2*1H4
InChIKeyRMGPZLWYLYWLSK-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of bis(butan-2-one);methane?
The IUPAC name of bis(butan-2-one);methane (CID 160665705) is bis(butan-2-one);methane.
What is the SMILES notation for bis(butan-2-one);methane?
The canonical SMILES for bis(butan-2-one);methane is C.C.CCC(C)=O.CCC(C)=O.
What is the InChIKey of bis(butan-2-one);methane?
The InChIKey is RMGPZLWYLYWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.2CH4/c2*1-3-4(2)5;;/h2*3H2,1-2H3;2*1H4.
What are the key properties of bis(butan-2-one);methane?
bis(butan-2-one);methane has a molecular weight of 176.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-one);methane is sourced from PubChem (CID 160665705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).