benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane

C269H474F6O18S — CID 157210005

IUPACbenzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.COC.COC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.CS(C)(=O)=O.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.21C6H6.C5H6F6.C5H12.4C3H6O2.C2H6O2S.8C2H6O.39C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;4*1-3(4)5-2;1-5(2,3)4;8*1-3-2;39*1-2/h1-18H;21*1-6H;1-2H3;1-4H3;5*1-2H3;8*1-2H3;39*1-2H3
InChIKeyARTYIVJDBUISDF-UHFFFAOYSA-N
MW4142.79 g/mol
LogP89.16
Rot. Bonds2

About benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane

benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane (PubChem CID 157210005) has the molecular formula C269H474F6O18S and a molecular weight of 4142.79 g/mol. Its IUPAC name is benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane.

Molecular Properties

Compound Namebenzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane
PubChem CID157210005
Molecular FormulaC269H474F6O18S
Molecular Weight4142.79 g/mol
Exact Mass4139.58
IUPAC Namebenzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.COC.COC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.CS(C)(=O)=O.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.21C6H6.C5H6F6.C5H12.4C3H6O2.C2H6O2S.8C2H6O.39C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;4*1-3(4)5-2;1-5(2,3)4;8*1-3-2;39*1-2/h1-18H;21*1-6H;1-2H3;1-4H3;5*1-2H3;8*1-2H3;39*1-2H3
InChIKeyARTYIVJDBUISDF-UHFFFAOYSA-N
XLogP89.16
TPSA213.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004142.79
LogP ≤ 589.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane?
The IUPAC name of benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane (CID 157210005) is benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane.
What is the SMILES notation for benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane?
The canonical SMILES for benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.COC.COC.COC.COC.COC.COC.COC.COC.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.CS(C)(=O)=O.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane?
The InChIKey is ARTYIVJDBUISDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.21C6H6.C5H6F6.C5H12.4C3H6O2.C2H6O2S.8C2H6O.39C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;4*1-3(4)5-2;1-5(2,3)4;8*1-3-2;39*1-2/h1-18H;21*1-6H;1-2H3;1-4H3;5*1-2H3;8*1-2H3;39*1-2H3.
What are the key properties of benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane?
benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane has a molecular weight of 4142.79 g/mol, XLogP of 89.16, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methyl acetate;methylsulfonylmethane is sourced from PubChem (CID 157210005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).