4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole

C68H120N10O2 — CID 157152222

IUPAC4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1=C(C(C)C)OCO1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1ncn(C)c1C(C)C
InChIInChI=1S/C11H19N.2C10H18N2.C10H17N.2C9H16N2.C9H16O2/c1-8(2)10-6-7-12(5)11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,1-5H3;2*6-8H,1-5H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);6-7H,5H2,1-4H3
InChIKeyALJSZJGBPLAPOA-UHFFFAOYSA-N
MW1109.78 g/mol
LogP19.69
Rot. Bonds14

About 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole

4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole (PubChem CID 157152222) has the molecular formula C68H120N10O2 and a molecular weight of 1109.78 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole
PubChem CID157152222
Molecular FormulaC68H120N10O2
Molecular Weight1109.78 g/mol
Exact Mass1108.96
IUPAC Name4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1=C(C(C)C)OCO1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1ncn(C)c1C(C)C
InChIInChI=1S/C11H19N.2C10H18N2.C10H17N.2C9H16N2.C9H16O2/c1-8(2)10-6-7-12(5)11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,1-5H3;2*6-8H,1-5H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);6-7H,5H2,1-4H3
InChIKeyALJSZJGBPLAPOA-UHFFFAOYSA-N
XLogP19.69
TPSA132.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.78
LogP ≤ 519.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole (CID 157152222) is 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole is CC(C)C1=C(C(C)C)OCO1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1ncn(C)c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole?
The InChIKey is ALJSZJGBPLAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.2C10H18N2.C10H17N.2C9H16N2.C9H16O2/c1-8(2)10-6-7-12(5)11(10)9(3)4;1-7(2)9-10(8(3)4)12(5)6-11-9;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,1-5H3;2*6-8H,1-5H3;5-8,11H,1-4H3;2*5-7H,1-4H3,(H,10,11);6-7H,5H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole?
4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole has a molecular weight of 1109.78 g/mol, XLogP of 19.69, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-dioxole;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)-1H-pyrrole;1-methyl-4,5-di(propan-2-yl)imidazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)pyrrole is sourced from PubChem (CID 157152222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).