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

C18H49NO4S — CID 162228848

IUPACbutan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
SMILESC.C.CCC.CCC(C)=O.CNC.COC.COC(C)=O.CSC
InChIInChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.2CH4/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;2*1H4
InChIKeyZVDCWLXJNAQCRD-UHFFFAOYSA-N
MW375.66 g/mol
LogP4.93
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 162228848) has the molecular formula C18H49NO4S and a molecular weight of 375.66 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 CID162228848
Molecular FormulaC18H49NO4S
Molecular Weight375.66 g/mol
Exact Mass375.34
IUPAC Namebutan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
SMILESC.C.CCC.CCC(C)=O.CNC.COC.COC(C)=O.CSC
InChIInChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.2CH4/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;2*1H4
InChIKeyZVDCWLXJNAQCRD-UHFFFAOYSA-N
XLogP4.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.66
LogP ≤ 54.93
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 158852224
benzene;methoxymethane;methyl acetate;propane
CID 158395131
butan-2-one;ethane;methane;1-methoxypropan-2-one;methyl acetate;propan-2-one
CID 161218455
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
CID 158787534
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;methane;propan-2-one
CID 159882043
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;ethane;propane
CID 169173049

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 162228848) 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.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 ZVDCWLXJNAQCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2.C3H8.C2H7N.C2H6O.C2H6S.2CH4/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;2*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 375.66 g/mol, XLogP of 4.93, 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 162228848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).