5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one

C183H346N6O24S9 — CID 158029639

IUPAC5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)(C)C1CC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CC2(CNC2)C1.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CC2CNCC2C1.CC(C)(C)C1CC2COCC2C1.CC(C)(C)C1CCC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CCC2(CC1)CCS(=O)(=O)CC2.CC(C)(C)C1CCC2(CC1)CS(=O)(=O)C2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CCS(=O)(=O)C1.CC(C)(C)C1CCS(=O)(=O)CC1.CC(C)(C)C1CS(=O)(=O)C1.CC(C)C1CC2CS(=O)(=O)CC2C1.CC(C)C1CCC2CS(=O)(=O)CC2C1.CC(C)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H26O2S.C12H22O2S.C11H21N.2C11H20O2S.C11H20O.C10H19N.2C10H18O2S.C10H18O.C9H19N.C9H18O2S.C9H18O.C8H11NO.C8H17N.C8H16O2S.C8H16O.C7H15NO.C7H14O2S/c1-13(2,3)12-4-6-14(7-5-12)8-10-17(15,16)11-9-14;1-11(2,3)10-4-6-12(7-5-10)8-15(13,14)9-12;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-10(2,3)9-4-5-11(6-9)7-14(12,13)8-11;1-8(2)9-3-4-10-6-14(12,13)7-11(10)5-9;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-10(5-8)6-13(11,12)7-10;1-7(2)8-3-9-5-13(11,12)6-10(9)4-8;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-4-6-12(10,11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7-3-4-8(10)9-5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-4-5-11(9,10)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-10(8,9)5-6/h12H,4-11H2,1-3H3;10H,4-9H2,1-3H3;8-10,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-11H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyFHAHQIPJXLHZDT-UHFFFAOYSA-N
MW3303.40 g/mol
LogP38.28
Rot. Bonds4

About 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one

5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one (PubChem CID 158029639) has the molecular formula C183H346N6O24S9 and a molecular weight of 3303.40 g/mol. Its IUPAC name is 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one
PubChem CID158029639
Molecular FormulaC183H346N6O24S9
Molecular Weight3303.40 g/mol
Exact Mass3300.35
IUPAC Name5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)(C)C1CC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CC2(CNC2)C1.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CC2CNCC2C1.CC(C)(C)C1CC2COCC2C1.CC(C)(C)C1CCC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CCC2(CC1)CCS(=O)(=O)CC2.CC(C)(C)C1CCC2(CC1)CS(=O)(=O)C2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CCS(=O)(=O)C1.CC(C)(C)C1CCS(=O)(=O)CC1.CC(C)(C)C1CS(=O)(=O)C1.CC(C)C1CC2CS(=O)(=O)CC2C1.CC(C)C1CCC2CS(=O)(=O)CC2C1.CC(C)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H26O2S.C12H22O2S.C11H21N.2C11H20O2S.C11H20O.C10H19N.2C10H18O2S.C10H18O.C9H19N.C9H18O2S.C9H18O.C8H11NO.C8H17N.C8H16O2S.C8H16O.C7H15NO.C7H14O2S/c1-13(2,3)12-4-6-14(7-5-12)8-10-17(15,16)11-9-14;1-11(2,3)10-4-6-12(7-5-10)8-15(13,14)9-12;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-10(2,3)9-4-5-11(6-9)7-14(12,13)8-11;1-8(2)9-3-4-10-6-14(12,13)7-11(10)5-9;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-10(5-8)6-13(11,12)7-10;1-7(2)8-3-9-5-13(11,12)6-10(9)4-8;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-4-6-12(10,11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7-3-4-8(10)9-5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-4-5-11(9,10)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-10(8,9)5-6/h12H,4-11H2,1-3H3;10H,4-9H2,1-3H3;8-10,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-11H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyFHAHQIPJXLHZDT-UHFFFAOYSA-N
XLogP38.28
TPSA437.63 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds4
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003303.40
LogP ≤ 538.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one 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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2lambda6-thiaspiro[3.3]heptane 2,2-dioxide;2lambda6-thiaspiro[3.5]nonane 2,2-dioxide;2lambda6-thiaspiro[3.4]octane 2,2-dioxide;henicosakis(2-methylpropane);morpholine;oxane;2-oxaspiro[3.3]heptane;oxolane;piperidine;1H-pyridin-2-one;pyrrolidine;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
CID 160193449
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;2-azaspiro[3.3]heptane;2,2-dimethylpropane;2lambda6-thiaspiro[3.3]heptane 2,2-dioxide;2lambda6-thiaspiro[3.5]nonane 2,2-dioxide;2lambda6-thiaspiro[3.4]octane 2,2-dioxide;3lambda6-thiaspiro[5.5]undecane 3,3-dioxide;tricosakis(2-methylpropane);morpholine;2-oxabicyclo[2.2.1]heptane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.3]heptane;oxolane;1H-pyridin-2-one;thiane;thiane 1,1-dioxide;2-thiaspiro[3.3]heptane;thietane 1,1-dioxide;thiolane;thiolane 1,1-dioxide
CID 161277105

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one (CID 158029639) is 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one is CC(C)(C)C1CC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CC2(CNC2)C1.CC(C)(C)C1CC2(COC2)C1.CC(C)(C)C1CC2CNCC2C1.CC(C)(C)C1CC2COCC2C1.CC(C)(C)C1CCC2(C1)CS(=O)(=O)C2.CC(C)(C)C1CCC2(CC1)CCS(=O)(=O)CC2.CC(C)(C)C1CCC2(CC1)CS(=O)(=O)C2.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CCS(=O)(=O)C1.CC(C)(C)C1CCS(=O)(=O)CC1.CC(C)(C)C1CS(=O)(=O)C1.CC(C)C1CC2CS(=O)(=O)CC2C1.CC(C)C1CCC2CS(=O)(=O)CC2C1.CC(C)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is FHAHQIPJXLHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S.C12H22O2S.C11H21N.2C11H20O2S.C11H20O.C10H19N.2C10H18O2S.C10H18O.C9H19N.C9H18O2S.C9H18O.C8H11NO.C8H17N.C8H16O2S.C8H16O.C7H15NO.C7H14O2S/c1-13(2,3)12-4-6-14(7-5-12)8-10-17(15,16)11-9-14;1-11(2,3)10-4-6-12(7-5-10)8-15(13,14)9-12;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-10(2,3)9-4-5-11(6-9)7-14(12,13)8-11;1-8(2)9-3-4-10-6-14(12,13)7-11(10)5-9;1-11(2,3)10-4-8-6-12-7-9(8)5-10;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-10(5-8)6-13(11,12)7-10;1-7(2)8-3-9-5-13(11,12)6-10(9)4-8;1-9(2,3)8-4-10(5-8)6-11-7-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-4-6-12(10,11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7-3-4-8(10)9-5-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-4-5-11(9,10)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2)8-3-5-9-6-4-8;1-7(2,3)6-4-10(8,9)5-6/h12H,4-11H2,1-3H3;10H,4-9H2,1-3H3;8-10,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-11H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;3-6H,1-2H3,(H,9,10);7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one?
5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 3303.40 g/mol, XLogP of 38.28, 4 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;6-tert-butyl-2-azaspiro[3.3]heptane;6-tert-butyl-2λ6-thiaspiro[3.3]heptane 2,2-dioxide;7-tert-butyl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide;6-tert-butyl-2λ6-thiaspiro[3.4]octane 2,2-dioxide;9-tert-butyl-3λ6-thiaspiro[5.5]undecane 3,3-dioxide;4-tert-butyloxane;6-tert-butyl-2-oxaspiro[3.3]heptane;3-tert-butyloxolane;4-tert-butylpiperidine;3-tert-butylpyrrolidine;4-tert-butylthiane 1,1-dioxide;3-tert-butylthietane 1,1-dioxide;3-tert-butylthiolane 1,1-dioxide;5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide;5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophene 2,2-dioxide;4-propan-2-ylmorpholine;5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 158029639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).