cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine

C62H92N4O2 — CID 158508591

IUPACcumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine
SMILESC.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cn(CC(C)C)nn1
InChIInChI=1S/C10H14O.2C10H14.C9H12.C8H11N.C7H13N3.C7H10O.CH4/c1-8(2)9-5-4-6-10(7-9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)4-10-5-7(3)8-9-10;1-6(2)7-3-4-8-5-7;/h4-8H,1-3H3;2*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;5-6H,4H2,1-3H3;3-6H,1-2H3;1H4
InChIKeyHKTPTOJJPADSIQ-UHFFFAOYSA-N
MW925.44 g/mol
LogP18.35
Rot. Bonds9

About cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine

cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine (PubChem CID 158508591) has the molecular formula C62H92N4O2 and a molecular weight of 925.44 g/mol. Its IUPAC name is cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine
PubChem CID158508591
Molecular FormulaC62H92N4O2
Molecular Weight925.44 g/mol
Exact Mass924.72
IUPAC Namecumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine
SMILESC.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cn(CC(C)C)nn1
InChIInChI=1S/C10H14O.2C10H14.C9H12.C8H11N.C7H13N3.C7H10O.CH4/c1-8(2)9-5-4-6-10(7-9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)4-10-5-7(3)8-9-10;1-6(2)7-3-4-8-5-7;/h4-8H,1-3H3;2*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;5-6H,4H2,1-3H3;3-6H,1-2H3;1H4
InChIKeyHKTPTOJJPADSIQ-UHFFFAOYSA-N
XLogP18.35
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.44
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine?
The IUPAC name of cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine (CID 158508591) is cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine.
What is the SMILES notation for cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine?
The canonical SMILES for cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine is C.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccoc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cn(CC(C)C)nn1.
What is the InChIKey of cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine?
The InChIKey is HKTPTOJJPADSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.2C10H14.C9H12.C8H11N.C7H13N3.C7H10O.CH4/c1-8(2)9-5-4-6-10(7-9)11-3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)4-10-5-7(3)8-9-10;1-6(2)7-3-4-8-5-7;/h4-8H,1-3H3;2*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;5-6H,4H2,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine?
cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine has a molecular weight of 925.44 g/mol, XLogP of 18.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;1-methoxy-3-propan-2-ylbenzene;4-methyl-1-(2-methylpropyl)triazole;bis(1-methyl-4-propan-2-ylbenzene);3-propan-2-ylfuran;3-propan-2-ylpyridine is sourced from PubChem (CID 158508591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).