ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

C59H108N4O5S2 — CID 158324267

IUPACethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnoc1
InChIInChI=1S/2C7H10O.C7H10S.3C6H9NO.C6H9NS.7C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;7*1-2/h3*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyGPFJZANCJZXWGH-UHFFFAOYSA-N
MW1017.67 g/mol
LogP22.52
Rot. Bonds7

About ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (PubChem CID 158324267) has the molecular formula C59H108N4O5S2 and a molecular weight of 1017.67 g/mol. Its IUPAC name is ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
PubChem CID158324267
Molecular FormulaC59H108N4O5S2
Molecular Weight1017.67 g/mol
Exact Mass1016.78
IUPAC Nameethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnoc1
InChIInChI=1S/2C7H10O.C7H10S.3C6H9NO.C6H9NS.7C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;7*1-2/h3*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyGPFJZANCJZXWGH-UHFFFAOYSA-N
XLogP22.52
TPSA117.26 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.67
LogP ≤ 522.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
CID 159842730
2-Tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157074805
2-Methyl-3-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;3-methyl-4-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-yl-1,2-oxazol-2-ium;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene
CID 157091894
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
2,3-Ditert-butylfuran;4,5-ditert-butyl-1-methylpyrazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene
CID 157639948
Bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;2-methylthiophene;3-methylthiophene
CID 157787712
2-Propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158038521
Bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 158237445
ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158328716
Bis(2,3-dimethylfuran);bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 158598082
3,5-Dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 158604646
Bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;2,4-dimethylthiophene;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole
CID 158701777

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (CID 158324267) is ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.
What is the SMILES notation for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The canonical SMILES for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnoc1.
What is the InChIKey of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The InChIKey is GPFJZANCJZXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O.C7H10S.3C6H9NO.C6H9NS.7C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;7*1-2/h3*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3.
What are the key properties of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene has a molecular weight of 1017.67 g/mol, XLogP of 22.52, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 158324267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).