1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)

C244H420F3NO — CID 158325653

IUPAC1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)
SMILESCC(C)(C)C12CCC(CC1)CC2.CC(C)C12C3C4C5C3C1C5C42.CC(C)C12CC3CC(C)(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCC1CC2.CC(C)C1CCCC(C)(C)C1.CC(C)C[C@H]1CC[C@H]2C[C@@H]1C2(C)C.CC(C)c1ccc2c(c1)C1CCC2C1.CC(C)c1ccc2c(c1)CCC(C)(C)O2.CC(C)c1ccc2c(c1)CCN(CC(F)(F)F)C2.CC1CCC(C(C)C)CC1.C[C@@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H26.C14H18F3N.C14H20O.C14H18.4C14H26.2C13H22.3C13H24.C12H22.C11H14.2C11H20.C11H22.C10H20/c1-11(2)15-7-12-5-13(3,9-15)8-14(4,6-12)10-15;1-10(2)11-3-4-13-8-18(9-14(15,16)17)6-5-12(13)7-11;1-10(2)11-5-6-13-12(9-11)7-8-14(3,4)15-13;1-9(2)10-5-6-13-11-3-4-12(7-11)14(13)8-10;4*1-9-11(13(2,3)4)7-10-8-12(9)14(10,5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;2*1-9(2)11-8-10-6-7-13(11,5)12(10,3)4;1-9(2)7-10-5-6-11-8-12(10)13(11,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-3(2)11-8-5-4-6(8)10(11)7(4)9(5)11;2*1-8(2)11-7-9-3-5-10(11)6-4-9;1-9(2)10-6-5-7-11(3,4)8-10;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;3-4,7,10H,5-6,8-9H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8-9,11-12H,3-4,7H2,1-2H3;4*9-12H,7-8H2,1-6H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;2*9-11H,6-8H2,1-5H3;9-12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-10H,1-2H3;2*8-11H,3-7H2,1-2H3;9-10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3/t;;;;2*9-,10+,11?,12+;2*9-,10-,11?,12-;;;;;10-,11+,12+;;;;;;/m....1010....1....../s1
InChIKeyGPJIJJNYIYFGJD-SJMPTKQVSA-N
MW3441.04 g/mol
LogP74.03
Rot. Bonds16

About 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)

1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) (PubChem CID 158325653) has the molecular formula C244H420F3NO and a molecular weight of 3441.04 g/mol. Its IUPAC name is 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane).

Molecular Properties

Compound Name1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)
PubChem CID158325653
Molecular FormulaC244H420F3NO
Molecular Weight3441.04 g/mol
Exact Mass3438.28
IUPAC Name1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)
SMILESCC(C)(C)C12CCC(CC1)CC2.CC(C)C12C3C4C5C3C1C5C42.CC(C)C12CC3CC(C)(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCC1CC2.CC(C)C1CCCC(C)(C)C1.CC(C)C[C@H]1CC[C@H]2C[C@@H]1C2(C)C.CC(C)c1ccc2c(c1)C1CCC2C1.CC(C)c1ccc2c(c1)CCC(C)(C)O2.CC(C)c1ccc2c(c1)CCN(CC(F)(F)F)C2.CC1CCC(C(C)C)CC1.C[C@@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H26.C14H18F3N.C14H20O.C14H18.4C14H26.2C13H22.3C13H24.C12H22.C11H14.2C11H20.C11H22.C10H20/c1-11(2)15-7-12-5-13(3,9-15)8-14(4,6-12)10-15;1-10(2)11-3-4-13-8-18(9-14(15,16)17)6-5-12(13)7-11;1-10(2)11-5-6-13-12(9-11)7-8-14(3,4)15-13;1-9(2)10-5-6-13-11-3-4-12(7-11)14(13)8-10;4*1-9-11(13(2,3)4)7-10-8-12(9)14(10,5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;2*1-9(2)11-8-10-6-7-13(11,5)12(10,3)4;1-9(2)7-10-5-6-11-8-12(10)13(11,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-3(2)11-8-5-4-6(8)10(11)7(4)9(5)11;2*1-8(2)11-7-9-3-5-10(11)6-4-9;1-9(2)10-6-5-7-11(3,4)8-10;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;3-4,7,10H,5-6,8-9H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8-9,11-12H,3-4,7H2,1-2H3;4*9-12H,7-8H2,1-6H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;2*9-11H,6-8H2,1-5H3;9-12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-10H,1-2H3;2*8-11H,3-7H2,1-2H3;9-10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3/t;;;;2*9-,10+,11?,12+;2*9-,10-,11?,12-;;;;;10-,11+,12+;;;;;;/m....1010....1....../s1
InChIKeyGPJIJJNYIYFGJD-SJMPTKQVSA-N
XLogP74.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms249
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003441.04
LogP ≤ 574.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)?
The IUPAC name of 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) (CID 158325653) is 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane).
What is the SMILES notation for 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)?
The canonical SMILES for 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) is CC(C)(C)C12CCC(CC1)CC2.CC(C)C12C3C4C5C3C1C5C42.CC(C)C12CC3CC(C)(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1(C)C2(C)C.CC(C)C1CC2CCC1CC2.CC(C)C1CC2CCC1CC2.CC(C)C1CCCC(C)(C)C1.CC(C)C[C@H]1CC[C@H]2C[C@@H]1C2(C)C.CC(C)c1ccc2c(c1)C1CCC2C1.CC(C)c1ccc2c(c1)CCC(C)(C)O2.CC(C)c1ccc2c(c1)CCN(CC(F)(F)F)C2.CC1CCC(C(C)C)CC1.C[C@@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@@H]2C[C@H]1C2(C)C.C[C@H]1C(C(C)(C)C)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)?
The InChIKey is GPJIJJNYIYFGJD-SJMPTKQVSA-N. The full InChI is InChI=1S/C15H26.C14H18F3N.C14H20O.C14H18.4C14H26.2C13H22.3C13H24.C12H22.C11H14.2C11H20.C11H22.C10H20/c1-11(2)15-7-12-5-13(3,9-15)8-14(4,6-12)10-15;1-10(2)11-3-4-13-8-18(9-14(15,16)17)6-5-12(13)7-11;1-10(2)11-5-6-13-12(9-11)7-8-14(3,4)15-13;1-9(2)10-5-6-13-11-3-4-12(7-11)14(13)8-10;4*1-9-11(13(2,3)4)7-10-8-12(9)14(10,5)6;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;2*1-9(2)11-8-10-6-7-13(11,5)12(10,3)4;1-9(2)7-10-5-6-11-8-12(10)13(11,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-12;1-3(2)11-8-5-4-6(8)10(11)7(4)9(5)11;2*1-8(2)11-7-9-3-5-10(11)6-4-9;1-9(2)10-6-5-7-11(3,4)8-10;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;3-4,7,10H,5-6,8-9H2,1-2H3;5-6,9-10H,7-8H2,1-4H3;5-6,8-9,11-12H,3-4,7H2,1-2H3;4*9-12H,7-8H2,1-6H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;2*9-11H,6-8H2,1-5H3;9-12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-10H,1-2H3;2*8-11H,3-7H2,1-2H3;9-10H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3/t;;;;2*9-,10+,11?,12+;2*9-,10-,11?,12-;;;;;10-,11+,12+;;;;;;/m....1010....1....../s1.
What are the key properties of 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane)?
1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) has a molecular weight of 3441.04 g/mol, XLogP of 74.03, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbicyclo[2.2.2]octane;(1S,2R,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2S,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2S,5R)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1R,2R,5S)-3-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane;(1S,2R,5S)-6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptane;1,3-dimethyl-5-propan-2-yladamantane;1,1-dimethyl-3-propan-2-ylcyclohexane;2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromene;1-methyl-4-propan-2-ylcyclohexane;1-propan-2-yladamantane;2-propan-2-yladamantane;bis(2-propan-2-ylbicyclo[2.2.2]octane);1-propan-2-ylcubane;4-propan-2-yltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;6-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline;bis(1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane) is sourced from PubChem (CID 158325653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).