(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]

C276H496 — CID 160627967

IUPAC(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]
SMILESCC(C)(C)C1C2CC1CC1(CCCCC1)C2.CC(C)(C)C1CC2CC(C1)CC1(CCCCC1)C2.CC(C)(C)C1CC2CC1CC21CCCCC1.CC(C)(C)C1CCC2(CC1)CC1CC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CCC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC2C1.CC(C)(C)C1CCC2(CC1)C[C@H]1CCC[C@H]1C2.CC(C)(C)C1CCC2(CCC3CCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CCC3)C2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCCC2)CC1.[2H]C1([2H])CC2(CCCC2)CC([2H])([2H])C1([2H])C(C)(C)C
InChIInChI=1S/C21H38.2C20H36.2C19H34.2C18H32.2C17H30.3C16H28.C16H30.C15H28.2C14H26/c1-20(2,3)19-11-14-21(15-12-19)13-10-17-6-4-8-18(16-21)9-5-7-17;1-19(2,3)18-10-12-20(13-11-18)14-16-6-4-7-17(15-20)9-5-8-16;1-19(2,3)18-10-13-20(14-11-18)12-9-16-5-4-6-17(15-20)8-7-16;1-18(2,3)17-9-12-19(13-10-17)11-8-15-4-6-16(14-19)7-5-15;1-18(2,3)17-9-11-19(12-10-17)13-15-5-4-6-16(14-19)8-7-15;1-17(2,3)16-7-9-18(10-8-16)12-14-5-4-6-15(11-14)13-18;1-17(2,3)16-10-14-9-15(11-16)13-18(12-14)7-5-4-6-8-18;1-16(2,3)15-7-9-17(10-8-15)11-13-5-4-6-14(13)12-17;1-16(2,3)14-7-9-17(10-8-14)12-13-5-4-6-15(17)11-13;1-15(2,3)14-4-6-16(7-5-14)10-12-8-13(9-12)11-16;1-15(2,3)14-10-13-9-12(14)11-16(13)7-5-4-6-8-16;1-15(2,3)14-12-9-13(14)11-16(10-12)7-5-4-6-8-16;1-15(2,3)14-8-12-16(13-9-14)10-6-4-5-7-11-16;1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;2*1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14/h17-19H,4-16H2,1-3H3;2*16-18H,4-15H2,1-3H3;2*15-17H,4-14H2,1-3H3;2*14-16H,4-13H2,1-3H3;2*13-15H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3/t;;;;;;;13-,14+,15?,17?;;;;;;;;/i;;;;;;;;;;;;14D;13D;6D2,7D2,12D;12D
InChIKeyRHOAQSIGZRKGPL-WDJXUJHYSA-N
MW3823.05 g/mol
LogP90.40
Rot. Bonds

About (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]

(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] (PubChem CID 160627967) has the molecular formula C276H496 and a molecular weight of 3823.05 g/mol. Its IUPAC name is (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane].

Molecular Properties

Compound Name(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]
PubChem CID160627967
Molecular FormulaC276H496
Molecular Weight3823.05 g/mol
Exact Mass3819.93
IUPAC Name(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]
SMILESCC(C)(C)C1C2CC1CC1(CCCCC1)C2.CC(C)(C)C1CC2CC(C1)CC1(CCCCC1)C2.CC(C)(C)C1CC2CC1CC21CCCCC1.CC(C)(C)C1CCC2(CC1)CC1CC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CCC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC2C1.CC(C)(C)C1CCC2(CC1)C[C@H]1CCC[C@H]1C2.CC(C)(C)C1CCC2(CCC3CCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CCC3)C2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCCC2)CC1.[2H]C1([2H])CC2(CCCC2)CC([2H])([2H])C1([2H])C(C)(C)C
InChIInChI=1S/C21H38.2C20H36.2C19H34.2C18H32.2C17H30.3C16H28.C16H30.C15H28.2C14H26/c1-20(2,3)19-11-14-21(15-12-19)13-10-17-6-4-8-18(16-21)9-5-7-17;1-19(2,3)18-10-12-20(13-11-18)14-16-6-4-7-17(15-20)9-5-8-16;1-19(2,3)18-10-13-20(14-11-18)12-9-16-5-4-6-17(15-20)8-7-16;1-18(2,3)17-9-12-19(13-10-17)11-8-15-4-6-16(14-19)7-5-15;1-18(2,3)17-9-11-19(12-10-17)13-15-5-4-6-16(14-19)8-7-15;1-17(2,3)16-7-9-18(10-8-16)12-14-5-4-6-15(11-14)13-18;1-17(2,3)16-10-14-9-15(11-16)13-18(12-14)7-5-4-6-8-18;1-16(2,3)15-7-9-17(10-8-15)11-13-5-4-6-14(13)12-17;1-16(2,3)14-7-9-17(10-8-14)12-13-5-4-6-15(17)11-13;1-15(2,3)14-4-6-16(7-5-14)10-12-8-13(9-12)11-16;1-15(2,3)14-10-13-9-12(14)11-16(13)7-5-4-6-8-16;1-15(2,3)14-12-9-13(14)11-16(10-12)7-5-4-6-8-16;1-15(2,3)14-8-12-16(13-9-14)10-6-4-5-7-11-16;1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;2*1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14/h17-19H,4-16H2,1-3H3;2*16-18H,4-15H2,1-3H3;2*15-17H,4-14H2,1-3H3;2*14-16H,4-13H2,1-3H3;2*13-15H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3/t;;;;;;;13-,14+,15?,17?;;;;;;;;/i;;;;;;;;;;;;14D;13D;6D2,7D2,12D;12D
InChIKeyRHOAQSIGZRKGPL-WDJXUJHYSA-N
XLogP90.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms276
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003823.05
LogP ≤ 590.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]?
The IUPAC name of (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] (CID 160627967) is (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane].
What is the SMILES notation for (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]?
The canonical SMILES for (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] is CC(C)(C)C1C2CC1CC1(CCCCC1)C2.CC(C)(C)C1CC2CC(C1)CC1(CCCCC1)C2.CC(C)(C)C1CC2CC1CC21CCCCC1.CC(C)(C)C1CCC2(CC1)CC1CC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(C1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC(CCC1)C2.CC(C)(C)C1CCC2(CC1)CC1CCCC2C1.CC(C)(C)C1CCC2(CC1)C[C@H]1CCC[C@H]1C2.CC(C)(C)C1CCC2(CCC3CCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CC3)C2)CC1.CC(C)(C)C1CCC2(CCC3CCCC(CCC3)C2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCC2)CC1.[2H]C1(C(C)(C)C)CCC2(CCCCCC2)CC1.[2H]C1([2H])CC2(CCCC2)CC([2H])([2H])C1([2H])C(C)(C)C.
What is the InChIKey of (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]?
The InChIKey is RHOAQSIGZRKGPL-WDJXUJHYSA-N. The full InChI is InChI=1S/C21H38.2C20H36.2C19H34.2C18H32.2C17H30.3C16H28.C16H30.C15H28.2C14H26/c1-20(2,3)19-11-14-21(15-12-19)13-10-17-6-4-8-18(16-21)9-5-7-17;1-19(2,3)18-10-12-20(13-11-18)14-16-6-4-7-17(15-20)9-5-8-16;1-19(2,3)18-10-13-20(14-11-18)12-9-16-5-4-6-17(15-20)8-7-16;1-18(2,3)17-9-12-19(13-10-17)11-8-15-4-6-16(14-19)7-5-15;1-18(2,3)17-9-11-19(12-10-17)13-15-5-4-6-16(14-19)8-7-15;1-17(2,3)16-7-9-18(10-8-16)12-14-5-4-6-15(11-14)13-18;1-17(2,3)16-10-14-9-15(11-16)13-18(12-14)7-5-4-6-8-18;1-16(2,3)15-7-9-17(10-8-15)11-13-5-4-6-14(13)12-17;1-16(2,3)14-7-9-17(10-8-14)12-13-5-4-6-15(17)11-13;1-15(2,3)14-4-6-16(7-5-14)10-12-8-13(9-12)11-16;1-15(2,3)14-10-13-9-12(14)11-16(13)7-5-4-6-8-16;1-15(2,3)14-12-9-13(14)11-16(10-12)7-5-4-6-8-16;1-15(2,3)14-8-12-16(13-9-14)10-6-4-5-7-11-16;1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;2*1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14/h17-19H,4-16H2,1-3H3;2*16-18H,4-15H2,1-3H3;2*15-17H,4-14H2,1-3H3;2*14-16H,4-13H2,1-3H3;2*13-15H,4-12H2,1-3H3;3*12-14H,4-11H2,1-3H3;14H,4-13H2,1-3H3;13H,4-12H2,1-3H3;2*12H,4-11H2,1-3H3/t;;;;;;;13-,14+,15?,17?;;;;;;;;/i;;;;;;;;;;;;14D;13D;6D2,7D2,12D;12D.
What are the key properties of (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]?
(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] has a molecular weight of 3823.05 g/mol, XLogP of 90.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane] is sourced from PubChem (CID 160627967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).