2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene

C60H95N3OS3 — CID 160759004

IUPAC2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1
InChIInChI=1S/C10H17N.C10H16O.C10H16S.C8H13N.C8H12S.C7H11N.C7H10S/c1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyRXUQWGNGYSFFRF-UHFFFAOYSA-N
MW970.64 g/mol
LogP21.21
Rot. Bonds10

About 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene

2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene (PubChem CID 160759004) has the molecular formula C60H95N3OS3 and a molecular weight of 970.64 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
PubChem CID160759004
Molecular FormulaC60H95N3OS3
Molecular Weight970.64 g/mol
Exact Mass969.66
IUPAC Name2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1
InChIInChI=1S/C10H17N.C10H16O.C10H16S.C8H13N.C8H12S.C7H11N.C7H10S/c1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyRXUQWGNGYSFFRF-UHFFFAOYSA-N
XLogP21.21
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.64
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene with MolForge

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Related Compounds

5-Pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile
CID 2805317
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
3-[1-[5-[1-(5-Tert-butylfuran-2-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine
CID 130289698
1-[2-(Furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole
CID 135138730
2,3-Bis[furan-2-yl(thiophen-2-yl)methyl]pyridine
CID 141174094
Ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 157136170
Furan;1-methylpyrrole;2-pentylfuran;2-pentylthiophene;thiophene;triethyl(furan-2-yl)silane;triethyl-(1-methylpyrrol-2-yl)silane;triethyl-(5-pentylfuran-2-yl)silane;triethyl-(5-pentylthiophen-2-yl)silane;triethyl(thiophen-2-yl)silane
CID 157334254
1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
CID 157358136
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707
1-Methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157392525
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072
Bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene
CID 157497014

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene?
The IUPAC name of 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene (CID 160759004) is 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene?
The canonical SMILES for 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene is CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.Cc1ccn(C(C)C)c1.
What is the InChIKey of 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene?
The InChIKey is RXUQWGNGYSFFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C10H16O.C10H16S.C8H13N.C8H12S.C7H11N.C7H10S/c1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene?
2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene has a molecular weight of 970.64 g/mol, XLogP of 21.21, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)furan;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylpyrrole;2-propan-2-ylthiophene is sourced from PubChem (CID 160759004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).