2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene

C93H132N4O3S — CID 159703414

IUPAC2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene
SMILESCC(C)C1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc[nH]c1=O.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H16.4C10H14.C9H13NO.C8H11NO.C8H16O.C7H10S.C6H10N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;4*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-12H,1-2H3;4*4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyMXXGQOHDJILJLO-UHFFFAOYSA-N
MW1386.17 g/mol
LogP27.14
Rot. Bonds12

About 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene

2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene (PubChem CID 159703414) has the molecular formula C93H132N4O3S and a molecular weight of 1386.17 g/mol. Its IUPAC name is 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene
PubChem CID159703414
Molecular FormulaC93H132N4O3S
Molecular Weight1386.17 g/mol
Exact Mass1385.00
IUPAC Name2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene
SMILESCC(C)C1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc[nH]c1=O.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H16.4C10H14.C9H13NO.C8H11NO.C8H16O.C7H10S.C6H10N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;4*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-12H,1-2H3;4*4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyMXXGQOHDJILJLO-UHFFFAOYSA-N
XLogP27.14
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.17
LogP ≤ 527.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;3-tert-butylfuran;2-tert-butylnaphthalene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butyl-1,2,3,6-tetrahydropyridine;3-tert-butylthiophene;ethane
CID 158582543
(E)-N-[(2-methoxy-4-pyridinyl)methyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 55531160

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene?
The IUPAC name of 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene (CID 159703414) is 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene.
What is the SMILES notation for 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene?
The canonical SMILES for 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene is CC(C)C1CCOCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc[nH]c1=O.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.COc1ncccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene?
The InChIKey is MXXGQOHDJILJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.4C10H14.C9H13NO.C8H11NO.C8H16O.C7H10S.C6H10N2/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;4*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-4-6-10-9(8)11-3;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6/h3-12H,1-2H3;4*4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene?
2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene has a molecular weight of 1386.17 g/mol, XLogP of 27.14, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-propan-2-ylpyridine;tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenyl-4-propan-2-ylbenzene;4-propan-2-yloxane;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylthiophene is sourced from PubChem (CID 159703414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).