2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane

C242H361F10N21O5 — CID 161073766

IUPAC2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane
SMILESC.C#Cc1cncc(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(C(F)(F)F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)Oc1cncc(CC(C)(C)C)c1.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
InChIInChI=1S/C12H18FNO.C12H18FN.C12H15N.2C11H14F3N.4C11H17NO.8C11H17N.C11H16.2C10H14FN.2C10H15N.CH4/c1-9(13)15-11-5-10(7-14-8-11)6-12(2,3)4;1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-5-10-6-11(9-13-8-10)7-12(2,3)4;1-10(2,3)5-8-4-9(7-15-6-8)11(12,13)14;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;/h5,7-9H,6H2,1-4H3;5,7-9H,6H2,1-4H3;1,6,8-9H,7H2,2-4H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;1H4
InChIKeyUEZNARSSDHBGTL-UHFFFAOYSA-N
MW3834.67 g/mol
LogP66.51
Rot. Bonds29

About 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane

2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane (PubChem CID 161073766) has the molecular formula C242H361F10N21O5 and a molecular weight of 3834.67 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane.

Molecular Properties

Compound Name2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane
PubChem CID161073766
Molecular FormulaC242H361F10N21O5
Molecular Weight3834.67 g/mol
Exact Mass3831.85
IUPAC Name2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane
SMILESC.C#Cc1cncc(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(C(F)(F)F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)Oc1cncc(CC(C)(C)C)c1.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C
InChIInChI=1S/C12H18FNO.C12H18FN.C12H15N.2C11H14F3N.4C11H17NO.8C11H17N.C11H16.2C10H14FN.2C10H15N.CH4/c1-9(13)15-11-5-10(7-14-8-11)6-12(2,3)4;1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-5-10-6-11(9-13-8-10)7-12(2,3)4;1-10(2,3)5-8-4-9(7-15-6-8)11(12,13)14;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;/h5,7-9H,6H2,1-4H3;5,7-9H,6H2,1-4H3;1,6,8-9H,7H2,2-4H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;1H4
InChIKeyUEZNARSSDHBGTL-UHFFFAOYSA-N
XLogP66.51
TPSA316.84 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003834.67
LogP ≤ 566.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane with MolForge

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Related Compounds

Bis[3,5-difluoro-2-(5-methoxy-2-pyridyl)phenyl]iridium(1+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridyl]pyridine;hexafluorophosphate
CID 166446739
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
3-(Dipyridin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 24760481
3-(Dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine
CID 24760484
3-[6-[2-[4-(5-Ethoxypyridin-3-yl)phenyl]-3-methylbutan-2-yl]pyridin-3-yl]-6-(trifluoromethyl)pyridazine
CID 24830697
3-[6-[3-Methyl-2-[4-(5-phenylmethoxypyridin-3-yl)phenyl]butan-2-yl]pyridin-3-yl]-6-(trifluoromethyl)pyridazine
CID 24830845
3-Fluoro-2-[4-[4-(3-fluoro-5-octoxy-2-pyridinyl)phenoxy]phenyl]-5-octoxypyridine
CID 57024781
3-Fluoro-5-[[5-fluoro-6-(4-octoxyphenyl)-3-pyridinyl]oxy]-2-(4-octoxyphenyl)pyridine
CID 57307302
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(6-methoxypyridin-3-yl)-4-(trifluoromethyl)pyridine
CID 57557579
2-(4,5-Difluoro-2-methylphenyl)-3-(dipyridin-3-ylmethoxy)pyridine
CID 57613261
(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68810502
3-[[6-[3-(Trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
CID 68810503

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane?
The IUPAC name of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane (CID 161073766) is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane.
What is the SMILES notation for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane?
The canonical SMILES for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane is C.C#Cc1cncc(CC(C)(C)C)c1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(C(F)(F)F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)Oc1cncc(CC(C)(C)C)c1.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane?
The InChIKey is UEZNARSSDHBGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO.C12H18FN.C12H15N.2C11H14F3N.4C11H17NO.8C11H17N.C11H16.2C10H14FN.2C10H15N.CH4/c1-9(13)15-11-5-10(7-14-8-11)6-12(2,3)4;1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-5-10-6-11(9-13-8-10)7-12(2,3)4;1-10(2,3)5-8-4-9(7-15-6-8)11(12,13)14;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;2*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;/h5,7-9H,6H2,1-4H3;5,7-9H,6H2,1-4H3;1,6,8-9H,7H2,2-4H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;3*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;1H4.
What are the key properties of 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane?
2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane has a molecular weight of 3834.67 g/mol, XLogP of 66.51, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-ethynylpyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethoxy)pyridine;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 161073766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).