tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine

C99H144N8O4 — CID 159573840

About tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine

tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine (PubChem CID 159573840) has the molecular formula C99H144N8O4 and a molecular weight of 1510.29 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine.

Molecular Properties

• Compound Name: tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine
• PubChem CID: 159573840
• Molecular Formula: C99H144N8O4
• Molecular Weight: 1510.29 g/mol
• Exact Mass: 1509.13
• IUPAC Name: tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine
• SMILES: C=C1NC=CC(CO)=C1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C14H16.C13H17N.C12H19N.2C11H17NO.C10H16N2O.C10H14.C9H15NO.C9H13N/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-10(2,3)9-7-5-4-6-8-9;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;6,13H,5H2,1-4H3;4-8H,1-3H3;1-5H3;4-7H,1-3H3
• InChIKey: MIDPQDSOUGCSAW-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 158.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.29
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine?

The IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine (CID 159573840) is tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine.

What is the SMILES notation for tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine?

The canonical SMILES for tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine is C=C1NC=CC(CO)=C1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21.

What is the InChIKey of tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine?

The InChIKey is MIDPQDSOUGCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H17N.C12H19N.2C11H17NO.C10H16N2O.C10H14.C9H15NO.C9H13N/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-10(2,3)9-7-5-4-6-8-9;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;6,13H,5H2,1-4H3;4-8H,1-3H3;1-5H3;4-7H,1-3H3.

What are the key properties of tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine?

tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine has a molecular weight of 1510.29 g/mol, XLogP of 24.32, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;4-tert-butylpyridine is sourced from PubChem (CID 159573840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).