butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane

C24H73NO4S — CID 158852224

IUPACbutan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
SMILESC.C.C.C.C.C.C.C.CCC.CCC(C)=O.CNC.COC.COC(C)=O.CSC
InChIInChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.8CH4/c1-3-4(2)5;1-3(4)5-2;4*1-3-2;;;;;;;;/h3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3;8*1H4
InChIKeyIZPIVDCJIZTGFF-UHFFFAOYSA-N
MW471.92 g/mol
LogP8.75
Rot. Bonds1

About butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane

butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane (PubChem CID 158852224) has the molecular formula C24H73NO4S and a molecular weight of 471.92 g/mol. Its IUPAC name is butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane.

Molecular Properties

Compound Namebutan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
PubChem CID158852224
Molecular FormulaC24H73NO4S
Molecular Weight471.92 g/mol
Exact Mass471.53
IUPAC Namebutan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
SMILESC.C.C.C.C.C.C.C.CCC.CCC(C)=O.CNC.COC.COC(C)=O.CSC
InChIInChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.8CH4/c1-3-4(2)5;1-3(4)5-2;4*1-3-2;;;;;;;;/h3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3;8*1H4
InChIKeyIZPIVDCJIZTGFF-UHFFFAOYSA-N
XLogP8.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.92
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
CID 162228848
benzene;methoxymethane;methyl acetate;propane
CID 158395131
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
CID 158787534
butan-2-one;ethane;methane;1-methoxypropan-2-one;methyl acetate;propan-2-one
CID 161218455
bis(butan-2-one);methane
CID 160665705
methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
butan-2-one;methoxyethane;propane
CID 158787439
benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one
CID 158612029
butan-2-one;ethane;propane
CID 169173049
butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;methane;propan-2-one
CID 157260382

Frequently Asked Questions

What is the IUPAC name of butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane?
The IUPAC name of butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane (CID 158852224) is butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane.
What is the SMILES notation for butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane?
The canonical SMILES for butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane is C.C.C.C.C.C.C.C.CCC.CCC(C)=O.CNC.COC.COC(C)=O.CSC.
What is the InChIKey of butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane?
The InChIKey is IZPIVDCJIZTGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.8CH4/c1-3-4(2)5;1-3(4)5-2;4*1-3-2;;;;;;;;/h3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3;8*1H4.
What are the key properties of butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane?
butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane has a molecular weight of 471.92 g/mol, XLogP of 8.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane is sourced from PubChem (CID 158852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).