dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane

C25H68N2O10S2 — CID 158996461

IUPACdimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane
SMILESC.C.C.C.C.C.CNC(=O)OC.CNC(C)=O.COC.COC(=O)OC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO2.C3H7NO.C3H6O3.C3H6O2.C3H6OS.C2H6O.C2H6S.6CH4/c1-4-3(5)6-2;1-3(5)4-2;1-5-3(4)6-2;2*1-3(4)5-2;2*1-3-2;;;;;;/h1-2H3,(H,4,5);1-2H3,(H,4,5);1-2H3;2*1-2H3;2*1-2H3;6*1H4
InChIKeyJQUJJKKJRLDZHG-UHFFFAOYSA-N
MW620.96 g/mol
LogP6.26
Rot. Bonds

About dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane

dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane (PubChem CID 158996461) has the molecular formula C25H68N2O10S2 and a molecular weight of 620.96 g/mol. Its IUPAC name is dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane.

Molecular Properties

Compound Namedimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane
PubChem CID158996461
Molecular FormulaC25H68N2O10S2
Molecular Weight620.96 g/mol
Exact Mass620.43
IUPAC Namedimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane
SMILESC.C.C.C.C.C.CNC(=O)OC.CNC(C)=O.COC.COC(=O)OC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO2.C3H7NO.C3H6O3.C3H6O2.C3H6OS.C2H6O.C2H6S.6CH4/c1-4-3(5)6-2;1-3(5)4-2;1-5-3(4)6-2;2*1-3(4)5-2;2*1-3-2;;;;;;/h1-2H3,(H,4,5);1-2H3,(H,4,5);1-2H3;2*1-2H3;2*1-2H3;6*1H4
InChIKeyJQUJJKKJRLDZHG-UHFFFAOYSA-N
XLogP6.26
TPSA155.56 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500620.96
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane?
The IUPAC name of dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane (CID 158996461) is dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane.
What is the SMILES notation for dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane?
The canonical SMILES for dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane is C.C.C.C.C.C.CNC(=O)OC.CNC(C)=O.COC.COC(=O)OC.COC(C)=O.CSC.CSC(C)=O.
What is the InChIKey of dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane?
The InChIKey is JQUJJKKJRLDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C3H7NO.C3H6O3.C3H6O2.C3H6OS.C2H6O.C2H6S.6CH4/c1-4-3(5)6-2;1-3(5)4-2;1-5-3(4)6-2;2*1-3(4)5-2;2*1-3-2;;;;;;/h1-2H3,(H,4,5);1-2H3,(H,4,5);1-2H3;2*1-2H3;2*1-2H3;6*1H4.
What are the key properties of dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane?
dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane has a molecular weight of 620.96 g/mol, XLogP of 6.26, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane is sourced from PubChem (CID 158996461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).