dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one

C38H86F6N2O12S2 — CID 160563130

About dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one

dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one (PubChem CID 160563130) has the molecular formula C38H86F6N2O12S2 and a molecular weight of 941.23 g/mol. Its IUPAC name is dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one.

Molecular Properties

• Compound Name: dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one
• PubChem CID: 160563130
• Molecular Formula: C38H86F6N2O12S2
• Molecular Weight: 941.23 g/mol
• Exact Mass: 940.55
• IUPAC Name: dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one
• SMILES: CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.CNC(=O)OC.CNC(C)=O.COC.COC(=O)OC.COC(C)=O.CS(C)(=O)=O.CSC
• InChI: InChI=1S/C5H6F6.C5H12.C4H10.C3H7NO2.C3H7NO.C3H6O3.C3H6O2.C3H6O.C3H8.C2H6O2S.C2H6O.C2H6S/c1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-4-3(5)6-2;1-3(5)4-2;1-5-3(4)6-2;1-3(4)5-2;1-3(2)4;1-3-2;1-5(2,3)4;2*1-3-2/h1-2H3;1-4H3;4H,1-3H3;1-2H3,(H,4,5);1-2H3,(H,4,5);1-2H3;1-2H3;1-2H3;3H2,1-2H3;1-2H3;2*1-2H3
• InChIKey: QZOSKHQYJRVION-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 189.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.23
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one?

The IUPAC name of dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one (CID 160563130) is dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one.

What is the SMILES notation for dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one?

The canonical SMILES for dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.CNC(=O)OC.CNC(C)=O.COC.COC(=O)OC.COC(C)=O.CS(C)(=O)=O.CSC.

What is the InChIKey of dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one?

The InChIKey is QZOSKHQYJRVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C5H12.C4H10.C3H7NO2.C3H7NO.C3H6O3.C3H6O2.C3H6O.C3H8.C2H6O2S.C2H6O.C2H6S/c1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-4-3(5)6-2;1-3(5)4-2;1-5-3(4)6-2;1-3(4)5-2;1-3(2)4;1-3-2;1-5(2,3)4;2*1-3-2/h1-2H3;1-4H3;4H,1-3H3;1-2H3,(H,4,5);1-2H3,(H,4,5);1-2H3;1-2H3;1-2H3;3H2,1-2H3;1-2H3;2*1-2H3.

What are the key properties of dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one?

dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one has a molecular weight of 941.23 g/mol, XLogP of 10.07, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one is sourced from PubChem (CID 160563130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).