2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole

C215H374F2N12O23 — CID 159123557

IUPAC2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole
SMILESCC(C)C1=C(C(C)C)C(=O)CCO1.CC(C)C1=C(C(C)C)C(C)(C)CO1.CC(C)C1=C(C(C)C)C(C)(O)CCO1.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)COC1.CC(C)C1=C(C(C)C)N=CC1.CC(C)C1=C(C(C)C)N=NC1.CC(C)C1=C(C(C)C)OC(C)(C)O1.CC(C)C1=C(C(C)C)OC(F)(F)O1.CC(C)C1=C(C(C)C)OC2(CCC2)O1.CC(C)C1=C(C(C)C)OCC1.CC(C)C1=C(C(C)C)OCCC1.CC(C)C1=C(C(C)C)OCCO1.CC(C)C1=C(C(C)C)OCO1.CC(C)c1[nH]c(=O)oc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ncn(C)c1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1nnn(C)c1C(C)C.CC1=NC(C(C)C)=C(C(C)C)C1.Cc1noc(C(C)C)c1C(C)C
InChIInChI=1S/C12H20O2.C12H22O2.C12H22O.C11H19N.C11H20O2.C11H18O2.C11H20O.C11H18.C10H18N2.C10H17NO.C10H17N.C10H18O2.2C10H18O.C10H16O.C9H14F2O2.C9H17N3.C9H16N2.C9H15NO2.C9H15NO.C9H16O2/c1-8(2)10-11(9(3)4)14-12(13-10)6-5-7-12;1-8(2)10-11(9(3)4)14-7-6-12(10,5)13;1-8(2)10-11(9(3)4)13-7-12(10,5)6;1-7(2)10-6-9(5)12-11(10)8(3)4;1-7(2)9-10(8(3)4)13-11(5,6)12-9;1-7(2)10-9(12)5-6-13-11(10)8(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)11-12-10(9)7(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-5(2)7-8(6(3)4)13-9(10,11)12-7;1-6(2)8-9(7(3)4)12(5)11-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7;2*1-6(2)8-9(7(3)4)11-5-10-8/h8-9H,5-7H2,1-4H3;8-9,13H,6-7H2,1-5H3;8-9H,7H2,1-6H3;7-8H,6H2,1-5H3;7-8H,1-6H3;7-8H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;5-6,8-9H,7H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6H,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3,(H,10,11);5-7H,1-4H3;6-7H,5H2,1-4H3
InChIKeyKFZPYSLZCMFLGP-UHFFFAOYSA-N
MW3533.41 g/mol
LogP62.38
Rot. Bonds42

About 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole

2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole (PubChem CID 159123557) has the molecular formula C215H374F2N12O23 and a molecular weight of 3533.41 g/mol. Its IUPAC name is 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole.

Molecular Properties

Compound Name2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole
PubChem CID159123557
Molecular FormulaC215H374F2N12O23
Molecular Weight3533.41 g/mol
Exact Mass3530.84
IUPAC Name2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole
SMILESCC(C)C1=C(C(C)C)C(=O)CCO1.CC(C)C1=C(C(C)C)C(C)(C)CO1.CC(C)C1=C(C(C)C)C(C)(O)CCO1.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)COC1.CC(C)C1=C(C(C)C)N=CC1.CC(C)C1=C(C(C)C)N=NC1.CC(C)C1=C(C(C)C)OC(C)(C)O1.CC(C)C1=C(C(C)C)OC(F)(F)O1.CC(C)C1=C(C(C)C)OC2(CCC2)O1.CC(C)C1=C(C(C)C)OCC1.CC(C)C1=C(C(C)C)OCCC1.CC(C)C1=C(C(C)C)OCCO1.CC(C)C1=C(C(C)C)OCO1.CC(C)c1[nH]c(=O)oc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ncn(C)c1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1nnn(C)c1C(C)C.CC1=NC(C(C)C)=C(C(C)C)C1.Cc1noc(C(C)C)c1C(C)C
InChIInChI=1S/C12H20O2.C12H22O2.C12H22O.C11H19N.C11H20O2.C11H18O2.C11H20O.C11H18.C10H18N2.C10H17NO.C10H17N.C10H18O2.2C10H18O.C10H16O.C9H14F2O2.C9H17N3.C9H16N2.C9H15NO2.C9H15NO.C9H16O2/c1-8(2)10-11(9(3)4)14-12(13-10)6-5-7-12;1-8(2)10-11(9(3)4)14-7-6-12(10,5)13;1-8(2)10-11(9(3)4)13-7-12(10,5)6;1-7(2)10-6-9(5)12-11(10)8(3)4;1-7(2)9-10(8(3)4)13-11(5,6)12-9;1-7(2)10-9(12)5-6-13-11(10)8(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)11-12-10(9)7(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-5(2)7-8(6(3)4)13-9(10,11)12-7;1-6(2)8-9(7(3)4)12(5)11-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7;2*1-6(2)8-9(7(3)4)11-5-10-8/h8-9H,5-7H2,1-4H3;8-9,13H,6-7H2,1-5H3;8-9H,7H2,1-6H3;7-8H,6H2,1-5H3;7-8H,1-6H3;7-8H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;5-6,8-9H,7H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6H,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3,(H,10,11);5-7H,1-4H3;6-7H,5H2,1-4H3
InChIKeyKFZPYSLZCMFLGP-UHFFFAOYSA-N
XLogP62.38
TPSA394.15 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003533.41
LogP ≤ 562.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole?
The IUPAC name of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole (CID 159123557) is 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole.
What is the SMILES notation for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole?
The canonical SMILES for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole is CC(C)C1=C(C(C)C)C(=O)CCO1.CC(C)C1=C(C(C)C)C(C)(C)CO1.CC(C)C1=C(C(C)C)C(C)(O)CCO1.CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)COC1.CC(C)C1=C(C(C)C)N=CC1.CC(C)C1=C(C(C)C)N=NC1.CC(C)C1=C(C(C)C)OC(C)(C)O1.CC(C)C1=C(C(C)C)OC(F)(F)O1.CC(C)C1=C(C(C)C)OC2(CCC2)O1.CC(C)C1=C(C(C)C)OCC1.CC(C)C1=C(C(C)C)OCCC1.CC(C)C1=C(C(C)C)OCCO1.CC(C)C1=C(C(C)C)OCO1.CC(C)c1[nH]c(=O)oc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ncn(C)c1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1nnn(C)c1C(C)C.CC1=NC(C(C)C)=C(C(C)C)C1.Cc1noc(C(C)C)c1C(C)C.
What is the InChIKey of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole?
The InChIKey is KFZPYSLZCMFLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C12H22O2.C12H22O.C11H19N.C11H20O2.C11H18O2.C11H20O.C11H18.C10H18N2.C10H17NO.C10H17N.C10H18O2.2C10H18O.C10H16O.C9H14F2O2.C9H17N3.C9H16N2.C9H15NO2.C9H15NO.C9H16O2/c1-8(2)10-11(9(3)4)14-12(13-10)6-5-7-12;1-8(2)10-11(9(3)4)14-7-6-12(10,5)13;1-8(2)10-11(9(3)4)13-7-12(10,5)6;1-7(2)10-6-9(5)12-11(10)8(3)4;1-7(2)9-10(8(3)4)13-11(5,6)12-9;1-7(2)10-9(12)5-6-13-11(10)8(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-6(2)9-8(5)11-12-10(9)7(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-5(2)7-8(6(3)4)13-9(10,11)12-7;1-6(2)8-9(7(3)4)12(5)11-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7;2*1-6(2)8-9(7(3)4)11-5-10-8/h8-9H,5-7H2,1-4H3;8-9,13H,6-7H2,1-5H3;8-9H,7H2,1-6H3;7-8H,6H2,1-5H3;7-8H,1-6H3;7-8H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;5-6,8-9H,7H2,1-4H3;6-8H,1-5H3;6-7H,1-5H3;6-8H,5H2,1-4H3;7-8H,5-6H2,1-4H3;2*7-8H,5-6H2,1-4H3;5-8H,1-4H3;5-6H,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;5-6H,1-4H3,(H,10,11);5-7H,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole?
2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole has a molecular weight of 3533.41 g/mol, XLogP of 62.38, 42 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,5-di(propan-2-yl)-1,3-dioxole;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxole;3,3-dimethyl-4,5-di(propan-2-yl)-2H-furan;1,2-di(propan-2-yl)cyclopenta-1,3-diene;5,6-di(propan-2-yl)-2,3-dihydro-1,4-dioxine;3,4-di(propan-2-yl)-2,5-dihydrofuran;4,5-di(propan-2-yl)-2,3-dihydrofuran;5,6-di(propan-2-yl)-3,4-dihydro-2H-pyran;5,6-di(propan-2-yl)-2,3-dihydropyran-4-one;6,7-di(propan-2-yl)-5,8-dioxaspiro[3.4]oct-6-ene;4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-3H-1,3-oxazol-2-one;4,5-di(propan-2-yl)-3H-pyrazole;4,5-di(propan-2-yl)-3H-pyrrole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydropyran-4-ol;1-methyl-4,5-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-3H-pyrrole;1-methyl-4,5-di(propan-2-yl)triazole is sourced from PubChem (CID 159123557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).