4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene

C76H125N5O5S3 — CID 159058471

IUPAC4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
SMILESCC(C)C1=C(C(C)C)OCO1.CC(C)c1cccnc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C11H17N.C10H16O.C10H16S.2C9H15NO.2C9H15NS.C9H16O2/c1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;5*1-6(2)8-9(7(3)4)11-5-10-8/h5-9H,1-4H3;2*5-8H,1-4H3;4*5-7H,1-4H3;6-7H,5H2,1-4H3
InChIKeyJYDUUYPBINBFSB-UHFFFAOYSA-N
MW1285.07 g/mol
LogP25.99
Rot. Bonds16

About 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene

4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene (PubChem CID 159058471) has the molecular formula C76H125N5O5S3 and a molecular weight of 1285.07 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
PubChem CID159058471
Molecular FormulaC76H125N5O5S3
Molecular Weight1285.07 g/mol
Exact Mass1283.88
IUPAC Name4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
SMILESCC(C)C1=C(C(C)C)OCO1.CC(C)c1cccnc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C
InChIInChI=1S/C11H17N.C10H16O.C10H16S.2C9H15NO.2C9H15NS.C9H16O2/c1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;5*1-6(2)8-9(7(3)4)11-5-10-8/h5-9H,1-4H3;2*5-8H,1-4H3;4*5-7H,1-4H3;6-7H,5H2,1-4H3
InChIKeyJYDUUYPBINBFSB-UHFFFAOYSA-N
XLogP25.99
TPSA122.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.07
LogP ≤ 525.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene with MolForge

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Related Compounds

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
2,5-Dimethylthiophene;ethane;2-methylfuran;3-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157114063
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
CID 157371056
CID 157371056
1-Methyl-2-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157392525
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
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
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,3-xylene
CID 157577463

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene (CID 159058471) is 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene is CC(C)C1=C(C(C)C)OCO1.CC(C)c1cccnc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1ncsc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene?
The InChIKey is JYDUUYPBINBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H16O.C10H16S.2C9H15NO.2C9H15NS.C9H16O2/c1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;5*1-6(2)8-9(7(3)4)11-5-10-8/h5-9H,1-4H3;2*5-8H,1-4H3;4*5-7H,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene?
4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene has a molecular weight of 1285.07 g/mol, XLogP of 25.99, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene is sourced from PubChem (CID 159058471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).