2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene

C82H174N6O4S — CID 157362121

IUPAC2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene
SMILESC.C.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CCC.CCC1CC1.COC.Cc1ccccc1.Cc1ccccn1.c1ccoc1.c1cscn1
InChIInChI=1S/C7H14.C7H8.C6H7N.C5H11N.C5H10O.C5H10.C5H12.C4H10N2.C4H9NO.C4H4O.C4H8.C4H10.C3H3NS.C3H8.C2H6O.6C2H6.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2-5-3-4-5;1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-4-2-3-4;1-4(2)3;1-2-5-3-4-1;2*1-3-2;6*1-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,1-5H2;1-5H2;5H,2-4H2,1H3;1-4H3;5-6H,1-4H2;5H,1-4H2;1-4H;4H,2-3H2,1H3;4H,1-3H3;1-3H;3H2,1-2H3;1-2H3;6*1-2H3;2*1H4
InChIKeyBITKWFZDCDYMEK-UHFFFAOYSA-N
MW1340.40 g/mol
LogP25.17
Rot. Bonds1

About 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene

2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene (PubChem CID 157362121) has the molecular formula C82H174N6O4S and a molecular weight of 1340.40 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene
PubChem CID157362121
Molecular FormulaC82H174N6O4S
Molecular Weight1340.40 g/mol
Exact Mass1339.33
IUPAC Name2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene
SMILESC.C.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CCC.CCC1CC1.COC.Cc1ccccc1.Cc1ccccn1.c1ccoc1.c1cscn1
InChIInChI=1S/C7H14.C7H8.C6H7N.C5H11N.C5H10O.C5H10.C5H12.C4H10N2.C4H9NO.C4H4O.C4H8.C4H10.C3H3NS.C3H8.C2H6O.6C2H6.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2-5-3-4-5;1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-4-2-3-4;1-4(2)3;1-2-5-3-4-1;2*1-3-2;6*1-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,1-5H2;1-5H2;5H,2-4H2,1H3;1-4H3;5-6H,1-4H2;5H,1-4H2;1-4H;4H,2-3H2,1H3;4H,1-3H3;1-3H;3H2,1-2H3;1-2H3;6*1-2H3;2*1H4
InChIKeyBITKWFZDCDYMEK-UHFFFAOYSA-N
XLogP25.17
TPSA114.73 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.40
LogP ≤ 525.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene with MolForge

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Related Compounds

2,2-Dimethylpropane;ethylcyclopropane;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
CID 157281986
2,2-Dimethylpropane;ethylcyclopropane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylfuran;3-methylfuran;4-methylmorpholine;4-methyloxane;1-methylpiperazine;1-methylpiperidine;2-methylpropane;2-methylpyridine;2-methyl-1,3-thiazole;propane;toluene
CID 157958045
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylcyclopenta-1,3-diene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;toluene
CID 157973021
2,4-Di(propan-2-yl)-1,3-thiazole;3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159116852
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;2-methylcyclopenta-1,3-diene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;toluene
CID 159460224
2,2-Dimethylpropane;ethane;ethylcyclopropane;furan;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene
CID 161342434

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene?
The IUPAC name of 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene (CID 157362121) is 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene.
What is the SMILES notation for 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene?
The canonical SMILES for 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene is C.C.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCCCC1.CCC.CCC1CC1.COC.Cc1ccccc1.Cc1ccccn1.c1ccoc1.c1cscn1.
What is the InChIKey of 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene?
The InChIKey is BITKWFZDCDYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H8.C6H7N.C5H11N.C5H10O.C5H10.C5H12.C4H10N2.C4H9NO.C4H4O.C4H8.C4H10.C3H3NS.C3H8.C2H6O.6C2H6.2CH4/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2-5-3-4-5;1-5(2,3)4;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-4-2-3-4;1-4(2)3;1-2-5-3-4-1;2*1-3-2;6*1-2;;/h7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,1-5H2;1-5H2;5H,2-4H2,1H3;1-4H3;5-6H,1-4H2;5H,1-4H2;1-4H;4H,2-3H2,1H3;4H,1-3H3;1-3H;3H2,1-2H3;1-2H3;6*1-2H3;2*1H4.
What are the key properties of 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene?
2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene has a molecular weight of 1340.40 g/mol, XLogP of 25.17, 1 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;ethylcyclopropane;furan;methane;methoxymethane;methylcyclohexane;methylcyclopropane;2-methylpropane;2-methylpyridine;morpholine;oxane;piperazine;piperidine;propane;1,3-thiazole;toluene is sourced from PubChem (CID 157362121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).