1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one

C62H102F6O5S3 — CID 157133260

IUPAC1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(c1ccccc1)c1ccccc1.CC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC
InChIInChI=1S/C15H14.C15H16.C8H16.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-8(2)6-4-3-5-7-8;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2/h3-10H,1-2H3;3-12H,1-2H3;3-7H2,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3
InChIKeyAJHZBBITBKVMQR-UHFFFAOYSA-N
MW1137.68 g/mol
LogP19.08
Rot. Bonds2

About 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one

1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one (PubChem CID 157133260) has the molecular formula C62H102F6O5S3 and a molecular weight of 1137.68 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one.

Molecular Properties

Compound Name1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one
PubChem CID157133260
Molecular FormulaC62H102F6O5S3
Molecular Weight1137.68 g/mol
Exact Mass1136.68
IUPAC Name1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(c1ccccc1)c1ccccc1.CC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC
InChIInChI=1S/C15H14.C15H16.C8H16.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-8(2)6-4-3-5-7-8;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2/h3-10H,1-2H3;3-12H,1-2H3;3-7H2,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3
InChIKeyAJHZBBITBKVMQR-UHFFFAOYSA-N
XLogP19.08
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.68
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one?
The IUPAC name of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one (CID 157133260) is 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one.
What is the SMILES notation for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one?
The canonical SMILES for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(c1ccccc1)c1ccccc1.CC(C)=O.CC1(C)CCCCC1.CC1(C)c2ccccc2-c2ccccc21.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.
What is the InChIKey of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one?
The InChIKey is AJHZBBITBKVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C15H16.C8H16.C5H6F6.C5H12.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-8(2)6-4-3-5-7-8;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2/h3-10H,1-2H3;3-12H,1-2H3;3-7H2,1-2H3;1-2H3;1-4H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3.
What are the key properties of 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one?
1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one has a molecular weight of 1137.68 g/mol, XLogP of 19.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;2-phenylpropan-2-ylbenzene;propane;propan-2-one is sourced from PubChem (CID 157133260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).