1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane

C296H544 — CID 158664309

IUPAC1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane
SMILES[2H]C([2H])(C(C)(C)C)C12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C1C2CC3CC(C2)CC1C3)C(C)(C)C.[2H]C([2H])(C1CC2C3CCC(C3)C2C1)C(C)(C)C.[2H]C([2H])(C1CC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC1CC2)C(C)(C)C.[2H]C([2H])(C1CCC2(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC23CCCCC2(CCCC3)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CCC(CC2)C1)C(C)(C)C
InChIInChI=1S/C19H34.C17H32.3C16H30.3C15H26.5C15H28.2C14H26.4C13H24.C12H22/c1-17(2,3)14-16-8-13-18-9-4-6-11-19(18,15-16)12-7-5-10-18;1-17(2,3)13-16-11-14-7-4-5-8-15(12-16)10-6-9-14;1-16(2,3)12-15-10-13-6-4-7-14(11-15)9-5-8-13;1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16;1-16(2,3)12-15-10-13-6-4-5-7-14(11-15)9-8-13;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-15(2,3)9-14-12-5-10-4-11(7-12)8-13(14)6-10;1-15(2,3)9-10-6-13-11-4-5-12(8-11)14(13)7-10;1-15(2,3)11-14-9-6-12-4-7-13(10-14)8-5-12;1-14(2,3)12-13-6-10-15(11-7-13)8-4-5-9-15;1-15(2,3)11-14-9-12-5-4-6-13(10-14)8-7-12;1-15(2,3)11-14-9-12-6-4-5-7-13(8-12)10-14;1-15(2,3)11-14-10-12-6-4-5-7-13(14)9-8-12;1-13(2,3)10-12-6-9-14(11-12)7-4-5-8-14;1-14(2,3)10-13-8-11-5-4-6-12(7-11)9-13;1-12(2,3)9-11-5-8-13(10-11)6-4-7-13;2*1-13(2,3)9-11-5-4-10-6-12(7-10)8-11;1-13(2,3)9-12-7-10-4-5-11(6-10)8-12;1-12(2,3)8-11-6-9-4-10(5-9)7-11/h16H,4-15H2,1-3H3;14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;14H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;11-13H,4-10H2,1-3H3;2*10-14H,4-9H2,1-3H3;12-14H,4-11H2,1-3H3;13H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3/i14D2;13D2;12D2;13D2;12D2;10D2;2*9D2;11D2;12D2;3*11D2;2*10D2;4*9D2;8D2
InChIKeyIDDTXPWNGNMAKU-LTSSDBIVSA-N
MW4143.85 g/mol
LogP97.89
Rot. Bonds20

About 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane

1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane (PubChem CID 158664309) has the molecular formula C296H544 and a molecular weight of 4143.85 g/mol. Its IUPAC name is 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane.

Molecular Properties

Compound Name1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane
PubChem CID158664309
Molecular FormulaC296H544
Molecular Weight4143.85 g/mol
Exact Mass4140.51
IUPAC Name1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane
SMILES[2H]C([2H])(C(C)(C)C)C12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C1C2CC3CC(C2)CC1C3)C(C)(C)C.[2H]C([2H])(C1CC2C3CCC(C3)C2C1)C(C)(C)C.[2H]C([2H])(C1CC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC1CC2)C(C)(C)C.[2H]C([2H])(C1CCC2(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC23CCCCC2(CCCC3)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CCC(CC2)C1)C(C)(C)C
InChIInChI=1S/C19H34.C17H32.3C16H30.3C15H26.5C15H28.2C14H26.4C13H24.C12H22/c1-17(2,3)14-16-8-13-18-9-4-6-11-19(18,15-16)12-7-5-10-18;1-17(2,3)13-16-11-14-7-4-5-8-15(12-16)10-6-9-14;1-16(2,3)12-15-10-13-6-4-7-14(11-15)9-5-8-13;1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16;1-16(2,3)12-15-10-13-6-4-5-7-14(11-15)9-8-13;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-15(2,3)9-14-12-5-10-4-11(7-12)8-13(14)6-10;1-15(2,3)9-10-6-13-11-4-5-12(8-11)14(13)7-10;1-15(2,3)11-14-9-6-12-4-7-13(10-14)8-5-12;1-14(2,3)12-13-6-10-15(11-7-13)8-4-5-9-15;1-15(2,3)11-14-9-12-5-4-6-13(10-14)8-7-12;1-15(2,3)11-14-9-12-6-4-5-7-13(8-12)10-14;1-15(2,3)11-14-10-12-6-4-5-7-13(14)9-8-12;1-13(2,3)10-12-6-9-14(11-12)7-4-5-8-14;1-14(2,3)10-13-8-11-5-4-6-12(7-11)9-13;1-12(2,3)9-11-5-8-13(10-11)6-4-7-13;2*1-13(2,3)9-11-5-4-10-6-12(7-10)8-11;1-13(2,3)9-12-7-10-4-5-11(6-10)8-12;1-12(2,3)8-11-6-9-4-10(5-9)7-11/h16H,4-15H2,1-3H3;14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;14H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;11-13H,4-10H2,1-3H3;2*10-14H,4-9H2,1-3H3;12-14H,4-11H2,1-3H3;13H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3/i14D2;13D2;12D2;13D2;12D2;10D2;2*9D2;11D2;12D2;3*11D2;2*10D2;4*9D2;8D2
InChIKeyIDDTXPWNGNMAKU-LTSSDBIVSA-N
XLogP97.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms296
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004143.85
LogP ≤ 597.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane?
The IUPAC name of 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane (CID 158664309) is 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane.
What is the SMILES notation for 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane?
The canonical SMILES for 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane is [2H]C([2H])(C(C)(C)C)C12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C1C2CC3CC(C2)CC1C3)C(C)(C)C.[2H]C([2H])(C1CC2C3CCC(C3)C2C1)C(C)(C)C.[2H]C([2H])(C1CC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CC2CCCCC1CC2)C(C)(C)C.[2H]C([2H])(C1CCC2(CCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC2(CCCCC2)CC1)C(C)(C)C.[2H]C([2H])(C1CCC23CCCCC2(CCCC3)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CC(C2)C1)C(C)(C)C.[2H]C([2H])(C1CCC2CCC(CC2)C1)C(C)(C)C.
What is the InChIKey of 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane?
The InChIKey is IDDTXPWNGNMAKU-LTSSDBIVSA-N. The full InChI is InChI=1S/C19H34.C17H32.3C16H30.3C15H26.5C15H28.2C14H26.4C13H24.C12H22/c1-17(2,3)14-16-8-13-18-9-4-6-11-19(18,15-16)12-7-5-10-18;1-17(2,3)13-16-11-14-7-4-5-8-15(12-16)10-6-9-14;1-16(2,3)12-15-10-13-6-4-7-14(11-15)9-5-8-13;1-15(2,3)13-14-7-11-16(12-8-14)9-5-4-6-10-16;1-16(2,3)12-15-10-13-6-4-5-7-14(11-15)9-8-13;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-15(2,3)9-14-12-5-10-4-11(7-12)8-13(14)6-10;1-15(2,3)9-10-6-13-11-4-5-12(8-11)14(13)7-10;1-15(2,3)11-14-9-6-12-4-7-13(10-14)8-5-12;1-14(2,3)12-13-6-10-15(11-7-13)8-4-5-9-15;1-15(2,3)11-14-9-12-5-4-6-13(10-14)8-7-12;1-15(2,3)11-14-9-12-6-4-5-7-13(8-12)10-14;1-15(2,3)11-14-10-12-6-4-5-7-13(14)9-8-12;1-13(2,3)10-12-6-9-14(11-12)7-4-5-8-14;1-14(2,3)10-13-8-11-5-4-6-12(7-11)9-13;1-12(2,3)9-11-5-8-13(10-11)6-4-7-13;2*1-13(2,3)9-11-5-4-10-6-12(7-10)8-11;1-13(2,3)9-12-7-10-4-5-11(6-10)8-12;1-12(2,3)8-11-6-9-4-10(5-9)7-11/h16H,4-15H2,1-3H3;14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;14H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;11-13H,4-10H2,1-3H3;2*10-14H,4-9H2,1-3H3;12-14H,4-11H2,1-3H3;13H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;3*10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3/i14D2;13D2;12D2;13D2;12D2;10D2;2*9D2;11D2;12D2;3*11D2;2*10D2;4*9D2;8D2.
What are the key properties of 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane?
1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane has a molecular weight of 4143.85 g/mol, XLogP of 97.89, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;2-(1,1-dideuterio-2,2-dimethylpropyl)adamantane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.2]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;7-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.2.2]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.1]decane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.3]dodecane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.1.1]heptane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.1]nonane;3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.2.1]octane;bis(3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.1.1]octane);3-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[3.3.3]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)bicyclo[4.3.2]undecane;8-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.5]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[4.4]nonane;7-(1,1-dideuterio-2,2-dimethylpropyl)spiro[3.4]octane;3-(1,1-dideuterio-2,2-dimethylpropyl)spiro[5.5]undecane;4-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane;3-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.4.01,6]tetradecane is sourced from PubChem (CID 158664309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).