bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene

C201H299F4N9O6S2Si — CID 160755214

IUPACbicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1CNO2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H17NO.C13H19NO.2C13H17NS.C10H12.C9H10.C8H8.6C4H10/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-5-7(8)3-1;6*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;5-6,8-9,14H,7H2,1-4H3;2*5-9H,1-4H3;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;6*4H,1-3H3
InChIKeyRXILDAYORCBMQY-UHFFFAOYSA-N
MW3105.87 g/mol
LogP61.00
Rot. Bonds22

About bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene

bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene (PubChem CID 160755214) has the molecular formula C201H299F4N9O6S2Si and a molecular weight of 3105.87 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
PubChem CID160755214
Molecular FormulaC201H299F4N9O6S2Si
Molecular Weight3105.87 g/mol
Exact Mass3103.25
IUPAC Namebicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1CNO2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H17NO.C13H19NO.2C13H17NS.C10H12.C9H10.C8H8.6C4H10/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-5-7(8)3-1;6*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;5-6,8-9,14H,7H2,1-4H3;2*5-9H,1-4H3;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;6*4H,1-3H3
InChIKeyRXILDAYORCBMQY-UHFFFAOYSA-N
XLogP61.00
TPSA158.52 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003105.87
LogP ≤ 561.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene 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

2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)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;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157248329
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-benzothiophene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;[2,5-di(propan-2-yl)phenyl]methyl-dimethylsilane;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene);3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 158348490
1,6-dimethylbenzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate
CID 159408922
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
4-fluoro-7-propan-2-yl-1,2-benzothiazole
CID 171807323
1,4-di(propan-2-yl)-5H-cyclopenta[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;bis(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
CID 158741918
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;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-isoindole;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)phenyl]methyl-dimethylsilane;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;4-methoxy-2,5-di(propan-2-yl)pyridine;4-methoxy-2,5-di(propan-2-yl)pyrimidine;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 158035221
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)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]thiazolo[5,4-c]pyridine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine
CID 158842778
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
5-chloro-6-methyl-3,4-dihydro-2H-1,4-benzoxazine;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;8-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
CID 159125734
5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
CID 146614842

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene (CID 160755214) is bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c2c1CC2.CC(C)c1ccc(C(C)C)c2c1CCO2.CC(C)c1ccc(C(C)C)c2c1CC[Si]2(C)C.CC(C)c1ccc(C(C)C)c2c1CNO2.CC(C)c1ccc(C(C)C)c2c1OC(F)(F)O2.CC(C)c1ccc(C(C)C)c2c1OCC2(F)F.CC(C)c1ccc(C(C)C)c2c1ncn2C.CC(C)c1ccc(C(C)C)c2c1nnn2C.CC(C)c1ccc(C(C)C)c2ocnc12.CC(C)c1ccc(C(C)C)c2scnc12.CC(C)c1ccc(C(C)C)c2sncc12.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The InChIKey is RXILDAYORCBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Si.C14H18F2O.C14H20N2.C14H20O.C14H20.C13H16F2O2.C13H19N3.C13H17NO.C13H19NO.2C13H17NS.C10H12.C9H10.C8H8.6C4H10/c1-11(2)13-7-8-14(12(3)4)16-15(13)9-10-17(16,5)6;1-8(2)10-5-6-11(9(3)4)13-12(10)14(15,16)7-17-13;1-9(2)11-6-7-12(10(3)4)14-13(11)15-8-16(14)5;1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;1-9(2)11-5-6-12(10(3)4)14-8-7-13(11)14;1-7(2)9-5-6-10(8(3)4)12-11(9)16-13(14,15)17-12;1-8(2)10-6-7-11(9(3)4)13-12(10)14-15-16(13)5;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-5-6-11(9(3)4)13-12(10)7-14-15-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-5-7(8)3-1;6*1-4(2)3/h7-8,11-12H,9-10H2,1-6H3;5-6,8-9H,7H2,1-4H3;6-10H,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;5-8H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;5-6,8-9,14H,7H2,1-4H3;2*5-9H,1-4H3;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;6*4H,1-3H3.
What are the key properties of bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene has a molecular weight of 3105.87 g/mol, XLogP of 61.00, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5-triene;2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydro-1,2-benzoxazole;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160755214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).