benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium

C260H434F6O4S2U12-12 — CID 157121580

IUPACbenzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium
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(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CCC.CCC.CCC.COC.CS(C)(=O)=O.CSC.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C10H8.20C6H6.C5H6F6.C5H12.C3H6O.3C3H8.C2H6O2S.C2H6O.C2H6S.30C2H6.12CH3.12U/c4*1-2-6-10-8-4-3-7-9(10)5-1;20*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;3*1-3-2;1-5(2,3)4;2*1-3-2;30*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-8H;20*1-6H;1-2H3;1-4H3;1-2H3;3*3H2,1-2H3;1-2H3;2*1-2H3;30*1-2H3;12*1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-1;;;;;;;;;;;;
InChIKeyXJECTTVJVNVOJU-UHFFFAOYSA-N
MW6658.80 g/mol
LogP92.22
Rot. Bonds

About benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium

benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium (PubChem CID 157121580) has the molecular formula C260H434F6O4S2U12-12 and a molecular weight of 6658.80 g/mol. Its IUPAC name is benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium.

Molecular Properties

Compound Namebenzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium
PubChem CID157121580
Molecular FormulaC260H434F6O4S2U12-12
Molecular Weight6658.80 g/mol
Exact Mass6655.93
IUPAC Namebenzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium
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(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CCC.CCC.CCC.COC.CS(C)(=O)=O.CSC.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C10H8.20C6H6.C5H6F6.C5H12.C3H6O.3C3H8.C2H6O2S.C2H6O.C2H6S.30C2H6.12CH3.12U/c4*1-2-6-10-8-4-3-7-9(10)5-1;20*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;3*1-3-2;1-5(2,3)4;2*1-3-2;30*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-8H;20*1-6H;1-2H3;1-4H3;1-2H3;3*3H2,1-2H3;1-2H3;2*1-2H3;30*1-2H3;12*1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-1;;;;;;;;;;;;
InChIKeyXJECTTVJVNVOJU-UHFFFAOYSA-N
XLogP92.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms284
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006658.80
LogP ≤ 592.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium?
The IUPAC name of benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium (CID 157121580) is benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium.
What is the SMILES notation for benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium?
The canonical SMILES for benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium 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(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CCC.CCC.CCC.COC.CS(C)(=O)=O.CSC.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.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;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium?
The InChIKey is XJECTTVJVNVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8.20C6H6.C5H6F6.C5H12.C3H6O.3C3H8.C2H6O2S.C2H6O.C2H6S.30C2H6.12CH3.12U/c4*1-2-6-10-8-4-3-7-9(10)5-1;20*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;3*1-3-2;1-5(2,3)4;2*1-3-2;30*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-8H;20*1-6H;1-2H3;1-4H3;1-2H3;3*3H2,1-2H3;1-2H3;2*1-2H3;30*1-2H3;12*1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-1;;;;;;;;;;;;.
What are the key properties of benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium?
benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium has a molecular weight of 6658.80 g/mol, XLogP of 92.22, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;uranium is sourced from PubChem (CID 157121580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).