2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)

C146H255N7O7S2 — CID 165022164

IUPAC2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)
SMILESC.C.C.C.C.C.C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)Oc1cccnc1C(C)(C)C.CC(C)(C)Oc1ncccc1C(C)(C)C.CC(C)Oc1cccnc1C(C)(C)C.CC(C)Oc1ncccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(OC(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1
InChIInChI=1S/5C13H21NO.2C13H20S.2C12H19NO.2C12H22.7CH4/c1-12(2,3)11-10(8-7-9-14-11)15-13(4,5)6;1-12(2,3)10-8-7-9-14-11(10)15-13(4,5)6;2*1-9(2)15-11-8-7-10(3)14-12(11)13(4,5)6;1-9(2)15-12-11(13(4,5)6)8-7-10(3)14-12;2*1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-9(2)14-10-7-6-8-13-11(10)12(3,4)5;1-9(2)14-11-10(12(3,4)5)7-6-8-13-11;2*1-11(2,3)9-7-8-10-12(4,5)6;;;;;;;/h5*7-9H,1-6H3;2*6-10H,1-5H3;2*6-9H,1-5H3;2*7-10H,1-6H3;7*1H4/b;;;;;;;;;2*9-7-,10-8-;;;;;;;
InChIKeyLIDLNHUXJRTGET-NVEZBOEKSA-N
MW2284.82 g/mol
LogP45.67
Rot. Bonds18

About 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)

2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) (PubChem CID 165022164) has the molecular formula C146H255N7O7S2 and a molecular weight of 2284.82 g/mol. Its IUPAC name is 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene).

Molecular Properties

Compound Name2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)
PubChem CID165022164
Molecular FormulaC146H255N7O7S2
Molecular Weight2284.82 g/mol
Exact Mass2282.93
IUPAC Name2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)
SMILESC.C.C.C.C.C.C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)Oc1cccnc1C(C)(C)C.CC(C)(C)Oc1ncccc1C(C)(C)C.CC(C)Oc1cccnc1C(C)(C)C.CC(C)Oc1ncccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(OC(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1
InChIInChI=1S/5C13H21NO.2C13H20S.2C12H19NO.2C12H22.7CH4/c1-12(2,3)11-10(8-7-9-14-11)15-13(4,5)6;1-12(2,3)10-8-7-9-14-11(10)15-13(4,5)6;2*1-9(2)15-11-8-7-10(3)14-12(11)13(4,5)6;1-9(2)15-12-11(13(4,5)6)8-7-10(3)14-12;2*1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-9(2)14-10-7-6-8-13-11(10)12(3,4)5;1-9(2)14-11-10(12(3,4)5)7-6-8-13-11;2*1-11(2,3)9-7-8-10-12(4,5)6;;;;;;;/h5*7-9H,1-6H3;2*6-10H,1-5H3;2*6-9H,1-5H3;2*7-10H,1-6H3;7*1H4/b;;;;;;;;;2*9-7-,10-8-;;;;;;;
InChIKeyLIDLNHUXJRTGET-NVEZBOEKSA-N
XLogP45.67
TPSA154.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.82
LogP ≤ 545.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Tert-butyl-2-(difluoromethoxy)pyridine;5-tert-butyl-2-(difluoromethyl)pyridine;3-tert-butyl-5-(1-fluoroethoxy)pyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxy-3-(trifluoromethyl)pyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;3-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 167662723
2-Tert-butyl-4-(2,2-difluoroethoxy)pyridine;2-tert-butyl-6-(2,2-difluoroethoxy)pyridine;3-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-2-(difluoromethoxy)pyridine;2-tert-butyl-3-ethoxypyridine;3-tert-butyl-5-(2-fluoropropoxy)pyridine;4-tert-butyl-2-(2-fluoropropoxy)pyridine;2-tert-butyl-6-propan-2-yloxypyridine;3-tert-butyl-5-propan-2-yloxypyridine;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butylpyridine;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine;4-tert-butyl-2-(2,2,2-trifluoroethoxy)pyridine;2-ethoxy-4-propan-2-ylpyridine
CID 168425842
4-Tert-butylbenzenesulfonate;tris[4-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290341
4-Tert-butylbenzenesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290356
4-Tert-butylbenzenesulfonate;[3-[(2-methylpropan-2-yl)oxy]phenyl]-bis[3-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290360
1,3-Bis[2-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]ethylsulfanyl]propan-2-ol
CID 23516610
3-[4-(Phenylsulfanylmethyl)cyclohexyl]oxy-2-pyridin-4-ylpyridine
CID 139383936
[[4-[(2-Methylpropan-2-yl)oxy]phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]-lambda4-sulfanyl] 4-tert-butylbenzenesulfonate
CID 140395116
[Tris[4-(pyridin-2-ylmethoxy)phenyl]-lambda4-sulfanyl] 4-tert-butylbenzenesulfonate
CID 140395140
[[3-[(2-Methylpropan-2-yl)oxy]phenyl]-bis[3-(pyridin-2-ylmethoxy)phenyl]-lambda4-sulfanyl] 4-tert-butylbenzenesulfonate
CID 140395161
4-Pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine
CID 141152601
1-[2-[2-[4-[2-(4H-azepin-7-yl)-6-pyridin-2-yl-4-pyridinyl]phenoxy]ethoxy]ethylsulfanyl]-3-[2-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]ethylsulfanyl]propan-2-ol
CID 142185728

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)?
The IUPAC name of 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) (CID 165022164) is 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene).
What is the SMILES notation for 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)?
The canonical SMILES for 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) is C.C.C.C.C.C.C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)/C=C\C=C/C(C)(C)C.CC(C)(C)Oc1cccnc1C(C)(C)C.CC(C)(C)Oc1ncccc1C(C)(C)C.CC(C)Oc1cccnc1C(C)(C)C.CC(C)Oc1ncccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.CC(C)Sc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(OC(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1.Cc1ccc(OC(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)?
The InChIKey is LIDLNHUXJRTGET-NVEZBOEKSA-N. The full InChI is InChI=1S/5C13H21NO.2C13H20S.2C12H19NO.2C12H22.7CH4/c1-12(2,3)11-10(8-7-9-14-11)15-13(4,5)6;1-12(2,3)10-8-7-9-14-11(10)15-13(4,5)6;2*1-9(2)15-11-8-7-10(3)14-12(11)13(4,5)6;1-9(2)15-12-11(13(4,5)6)8-7-10(3)14-12;2*1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-9(2)14-10-7-6-8-13-11(10)12(3,4)5;1-9(2)14-11-10(12(3,4)5)7-6-8-13-11;2*1-11(2,3)9-7-8-10-12(4,5)6;;;;;;;/h5*7-9H,1-6H3;2*6-10H,1-5H3;2*6-9H,1-5H3;2*7-10H,1-6H3;7*1H4/b;;;;;;;;;2*9-7-,10-8-;;;;;;;.
What are the key properties of 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene)?
2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) has a molecular weight of 2284.82 g/mol, XLogP of 45.67, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyridine;bis(2-tert-butyl-6-methyl-3-propan-2-yloxypyridine);3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;3-tert-butyl-6-methyl-2-propan-2-yloxypyridine;2-tert-butyl-3-propan-2-yloxypyridine;3-tert-butyl-2-propan-2-yloxypyridine;bis(1-tert-butyl-2-propan-2-ylsulfanylbenzene);methane;bis((3Z,5Z)-2,2,7,7-tetramethylocta-3,5-diene) is sourced from PubChem (CID 165022164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).