1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

C210H333N17O11S4Si2 — CID 157319661

IUPAC1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/2C15H24OSi.C15H20S.C15H20.C14H18S.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.14CH4/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;;;;;;;;;;;;;;/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;5-6,8-11H,7H2,1-4H3;5-10H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;14*1H4
InChIKeyBDZXKFBPIQXEBX-UHFFFAOYSA-N
MW3456.52 g/mol
LogP65.69
Rot. Bonds30

About 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene

1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (PubChem CID 157319661) has the molecular formula C210H333N17O11S4Si2 and a molecular weight of 3456.52 g/mol. Its IUPAC name is 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
PubChem CID157319661
Molecular FormulaC210H333N17O11S4Si2
Molecular Weight3456.52 g/mol
Exact Mass3453.44
IUPAC Name1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1csc2c(C(C)C)ccc(C(C)C)c12
InChIInChI=1S/2C15H24OSi.C15H20S.C15H20.C14H18S.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.14CH4/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;;;;;;;;;;;;;;/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;5-6,8-11H,7H2,1-4H3;5-10H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;14*1H4
InChIKeyBDZXKFBPIQXEBX-UHFFFAOYSA-N
XLogP65.69
TPSA332.39 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003456.52
LogP ≤ 565.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene with MolForge

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Related Compounds

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine
CID 158166847
CID 158294602
CID 158294602
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 159709508
CID 160247909
CID 160247909
CID 160677969
CID 160677969
4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane
CID 160962068
CID 161013949
CID 161013949
2,2-difluoro-4,7-di(propan-2-yl)-3H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1-benzothiophene;1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one;1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine;1,4-di(propan-2-yl)-6,7-dihydrocyclopenta[d]pyridazin-5-one;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;4,7-di(propan-2-yl)furo[2,3-c]pyridine;bis(4,7-di(propan-2-yl)-2H-imidazo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;[2,5-di(propan-2-yl)phenyl]methanol;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-1H-pyrrolo[2,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-c]pyridine;2-fluoro-1,4-di(propan-2-yl)benzene;tris(2-methyl-1,4-di(propan-2-yl)benzene)
CID 161070998
CID 161279329
CID 161279329
CID 161472059
CID 161472059
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;bis(1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine);4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)-[1,3]dioxolo[4,5-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 161600625
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;bis(1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine);4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 162056425

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The IUPAC name of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene (CID 157319661) is 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(C)C)c2c1C=CC2.CC(C)c1ccc(C(C)C)c2c1CO[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1C[Si](C)(C)O2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2sccc12.CC(C)c1cnc(C(C)C)c2c1CCO2.CC(C)c1cnc(C(C)C)c2c1OCC2.CC(C)c1cnc(C(C)C)c2ocnc12.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2occc12.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2c1CCO2.CC(C)c1nnc(C(C)C)c2ocnc12.CC(C)c1nnc(C(C)C)c2scnc12.Cc1csc2c(C(C)C)ccc(C(C)C)c12.
What is the InChIKey of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
The InChIKey is BDZXKFBPIQXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24OSi.C15H20S.C15H20.C14H18S.C13H19NO.C13H17NO.C13H19NO.C13H18O2.C12H16N2O.2C12H18N2O.C12H16N2S.C11H15N3O.C11H15N3S.14CH4/c1-10(2)12-7-8-13(11(3)4)15-14(12)9-17(5,6)16-15;1-10(2)12-7-8-13(11(3)4)15-14(12)9-16-17(15,5)6;1-9(2)12-6-7-13(10(3)4)15-14(12)11(5)8-16-15;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;2*1-8(2)11-7-14-12(9(3)4)10-5-6-15-13(10)11;1-8(2)11-7-14-12(9(3)4)13-10(11)5-6-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-7(2)10-9-5-6-15-12(9)11(8(3)4)14-13-10;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;2*1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8;;;;;;;;;;;;;;/h2*7-8,10-11H,9H2,1-6H3;6-10H,1-5H3;5-6,8-11H,7H2,1-4H3;5-10H,1-4H3;7-9H,5-6H2,1-4H3;5-9H,1-4H3;7-9H,5-6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-8H,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;14*1H4.
What are the key properties of 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene?
1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene has a molecular weight of 3456.52 g/mol, XLogP of 65.69, 30 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 157319661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).