1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene

C186H270N14O4 — CID 161053697

IUPAC1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCC(=O)c1cc(C(C)C)ccc1C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.COc1cc(C)c(C)cc1C(C)C.COc1ncc(C(C)C)cc1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H18O.C12H16O.C12H18.C11H16.C10H15NO.4C10H15N.C10H14.7C9H13N.C8H11NO.C8H11N/c1-8(2)11-6-9(3)10(4)7-12(11)13-5;1-8(2)11-6-5-9(3)12(7-11)10(4)13;1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-8(3)10(12-4)11-6-9;2*1-7(2)10-5-8(3)9(4)11-6-10;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8/h6-8H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3
InChIKeyUCLUBAHEOJWBEB-UHFFFAOYSA-N
MW2766.30 g/mol
LogP52.14
Rot. Bonds22

About 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene

1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 161053697) has the molecular formula C186H270N14O4 and a molecular weight of 2766.30 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene
PubChem CID161053697
Molecular FormulaC186H270N14O4
Molecular Weight2766.30 g/mol
Exact Mass2764.14
IUPAC Name1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCC(=O)c1cc(C(C)C)ccc1C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.COc1cc(C)c(C)cc1C(C)C.COc1ncc(C(C)C)cc1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H18O.C12H16O.C12H18.C11H16.C10H15NO.4C10H15N.C10H14.7C9H13N.C8H11NO.C8H11N/c1-8(2)11-6-9(3)10(4)7-12(11)13-5;1-8(2)11-6-5-9(3)12(7-11)10(4)13;1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-8(3)10(12-4)11-6-9;2*1-7(2)10-5-8(3)9(4)11-6-10;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8/h6-8H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3
InChIKeyUCLUBAHEOJWBEB-UHFFFAOYSA-N
XLogP52.14
TPSA235.96 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.30
LogP ≤ 552.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene (CID 161053697) is 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene is CC(=O)c1cc(C(C)C)ccc1C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1cccnc1.COc1cc(C)c(C)cc1C(C)C.COc1ncc(C(C)C)cc1C.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1C.Cc1cc(C(C)C)cnc1C.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cc1C.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1cnccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene?
The InChIKey is UCLUBAHEOJWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C12H16O.C12H18.C11H16.C10H15NO.4C10H15N.C10H14.7C9H13N.C8H11NO.C8H11N/c1-8(2)11-6-9(3)10(4)7-12(11)13-5;1-8(2)11-6-5-9(3)12(7-11)10(4)13;1-8(2)12-7-10(4)9(3)6-11(12)5;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-8(3)10(12-4)11-6-9;2*1-7(2)10-5-8(3)9(4)11-6-10;2*1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9;2*1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-4-3-5-9-6-8/h6-8H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;7*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene?
1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 2766.30 g/mol, XLogP of 52.14, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylbenzene;bis(2,3-dimethyl-5-propan-2-ylpyridine);bis(2,6-dimethyl-3-propan-2-ylpyridine);1-methoxy-4,5-dimethyl-2-propan-2-ylbenzene;2-methoxy-3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-(2-methyl-5-propan-2-ylphenyl)ethanone;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;tris(3-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 161053697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).