1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide

C164H259F3N6O3 — CID 159114362

IUPAC1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide
SMILESC.CC(C)NC(=O)c1cc(C(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)c2c(c1)C1(CCO2)CC1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)n1.COC(C)(C)c1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H26O.C17H25NO.C17H28O.2C17H26.C17H28.C16H27N.C15H24N2.C15H26N2.C14H19F3.CH4/c1-12(2)13-10-14(17(3,4)5)16-15(11-13)18(6-7-18)8-9-19-16;1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5)6-7-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)18-8;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6)7-8-15;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17;/h10-12H,6-9H2,1-5H3;8-12H,6-7H2,1-5H3,(H,18,19);9-12H,1-8H3;2*9-12H,7-8H2,1-6H3;9-12H,1-8H3;9-11H,1-8H3;9-10H,7-8H2,1-6H3;9-10H,1-8H3;6-9H,1-5H3;1H4
InChIKeyKEWYNCVYSQCMFS-UHFFFAOYSA-N
MW2419.91 g/mol
LogP48.34
Rot. Bonds18

About 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide

1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide (PubChem CID 159114362) has the molecular formula C164H259F3N6O3 and a molecular weight of 2419.91 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide
PubChem CID159114362
Molecular FormulaC164H259F3N6O3
Molecular Weight2419.91 g/mol
Exact Mass2418.03
IUPAC Name1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide
SMILESC.CC(C)NC(=O)c1cc(C(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)c2c(c1)C1(CCO2)CC1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)n1.COC(C)(C)c1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H26O.C17H25NO.C17H28O.2C17H26.C17H28.C16H27N.C15H24N2.C15H26N2.C14H19F3.CH4/c1-12(2)13-10-14(17(3,4)5)16-15(11-13)18(6-7-18)8-9-19-16;1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5)6-7-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)18-8;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6)7-8-15;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17;/h10-12H,6-9H2,1-5H3;8-12H,6-7H2,1-5H3,(H,18,19);9-12H,1-8H3;2*9-12H,7-8H2,1-6H3;9-12H,1-8H3;9-11H,1-8H3;9-10H,7-8H2,1-6H3;9-10H,1-8H3;6-9H,1-5H3;1H4
InChIKeyKEWYNCVYSQCMFS-UHFFFAOYSA-N
XLogP48.34
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002419.91
LogP ≤ 548.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide?
The IUPAC name of 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide (CID 159114362) is 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide.
What is the SMILES notation for 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide?
The canonical SMILES for 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide is C.CC(C)NC(=O)c1cc(C(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)c2c(c1)C1(CCO2)CC1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)nc(C2(C)CC2)n1.COC(C)(C)c1cc(C(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide?
The InChIKey is KEWYNCVYSQCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O.C17H25NO.C17H28O.2C17H26.C17H28.C16H27N.C15H24N2.C15H26N2.C14H19F3.CH4/c1-12(2)13-10-14(17(3,4)5)16-15(11-13)18(6-7-18)8-9-19-16;1-11(2)13-8-14(16(19)18-12(3)4)10-15(9-13)17(5)6-7-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)18-8;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6)7-8-15;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17;/h10-12H,6-9H2,1-5H3;8-12H,6-7H2,1-5H3,(H,18,19);9-12H,1-8H3;2*9-12H,7-8H2,1-6H3;9-12H,1-8H3;9-11H,1-8H3;9-10H,7-8H2,1-6H3;9-10H,1-8H3;6-9H,1-5H3;1H4.
What are the key properties of 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide?
1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide has a molecular weight of 2419.91 g/mol, XLogP of 48.34, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methoxypropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;8-tert-butyl-6-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane];1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,3-ditert-butyl-5-propan-2-ylbenzene;2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;methane;3-(1-methylcyclopropyl)-N,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 159114362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).