(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one

C22H56N2O4S2 — CID 162280663

IUPAC(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one
SMILESC/C=C\C.CC(C)=O.CCOC.CCSC.CNC.CNC(C)=O.COC.CSC
InChIInChI=1S/C4H8.C3H7NO.C3H8O.C3H6O.C3H8S.C2H7N.C2H6O.C2H6S/c1-3-4-2;1-3(5)4-2;1-3-4-2;1-3(2)4;1-3-4-2;3*1-3-2/h3-4H,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b4-3-;;;;;;;
InChIKeyMLAHFPGDNXODMI-DACKNDTMSA-N
MW476.83 g/mol
LogP5.03
Rot. Bonds2

About (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one

(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one (PubChem CID 162280663) has the molecular formula C22H56N2O4S2 and a molecular weight of 476.83 g/mol. Its IUPAC name is (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one.

Molecular Properties

Compound Name(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one
PubChem CID162280663
Molecular FormulaC22H56N2O4S2
Molecular Weight476.83 g/mol
Exact Mass476.37
IUPAC Name(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one
SMILESC/C=C\C.CC(C)=O.CCOC.CCSC.CNC.CNC(C)=O.COC.CSC
InChIInChI=1S/C4H8.C3H7NO.C3H8O.C3H6O.C3H8S.C2H7N.C2H6O.C2H6S/c1-3-4-2;1-3(5)4-2;1-3-4-2;1-3(2)4;1-3-4-2;3*1-3-2/h3-4H,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b4-3-;;;;;;;
InChIKeyMLAHFPGDNXODMI-DACKNDTMSA-N
XLogP5.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
CID 158787534
butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one
CID 161294078
acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
CID 157259516
butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
CID 158852224
butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
CID 162228848
bis(N-methylacetamide);propan-2-one
CID 158104043
(E)-2,4-dimethylhex-1-ene-1-thiol;methoxyethane;methoxymethane;N-methylacetamide
CID 158352788
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
ethyl acetate;methylsulfanylethane
CID 90948635
benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one
CID 158612029
butane;ethyl acetate;ethyl N-methylcarbamate;methoxyethane;methoxymethane;1-methoxypropane;N-methylacetamide;methyl acetate;propan-2-one
CID 161489989
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one?
The IUPAC name of (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one (CID 162280663) is (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one.
What is the SMILES notation for (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one?
The canonical SMILES for (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one is C/C=C\C.CC(C)=O.CCOC.CCSC.CNC.CNC(C)=O.COC.CSC.
What is the InChIKey of (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one?
The InChIKey is MLAHFPGDNXODMI-DACKNDTMSA-N. The full InChI is InChI=1S/C4H8.C3H7NO.C3H8O.C3H6O.C3H8S.C2H7N.C2H6O.C2H6S/c1-3-4-2;1-3(5)4-2;1-3-4-2;1-3(2)4;1-3-4-2;3*1-3-2/h3-4H,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;1-2H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b4-3-;;;;;;;.
What are the key properties of (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one?
(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one has a molecular weight of 476.83 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one is sourced from PubChem (CID 162280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).