1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)

C153H229N15O8S8 — CID 158918065

IUPAC1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
SMILESCC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)C1C=CN=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/2C8H12.4C7H11N.3C7H10O.4C7H10S.C6H10N2.5C6H9NO.4C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6/h3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;7*3-6H,1-2H3;4-5H,3H2,1-2H3;9*3-5H,1-2H3
InChIKeyJHMHCIDXDLZUBK-UHFFFAOYSA-N
MW2663.15 g/mol
LogP51.14
Rot. Bonds23

About 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)

1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) (PubChem CID 158918065) has the molecular formula C153H229N15O8S8 and a molecular weight of 2663.15 g/mol. Its IUPAC name is 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene).

Molecular Properties

Compound Name1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
PubChem CID158918065
Molecular FormulaC153H229N15O8S8
Molecular Weight2663.15 g/mol
Exact Mass2660.57
IUPAC Name1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)
SMILESCC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)C1C=CN=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/2C8H12.4C7H11N.3C7H10O.4C7H10S.C6H10N2.5C6H9NO.4C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6/h3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;7*3-6H,1-2H3;4-5H,3H2,1-2H3;9*3-5H,1-2H3
InChIKeyJHMHCIDXDLZUBK-UHFFFAOYSA-N
XLogP51.14
TPSA295.29 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002663.15
LogP ≤ 551.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)?
The IUPAC name of 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) (CID 158918065) is 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene).
What is the SMILES notation for 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)?
The canonical SMILES for 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) is CC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)C1C=CN=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)?
The InChIKey is JHMHCIDXDLZUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.4C7H11N.3C7H10O.4C7H10S.C6H10N2.5C6H9NO.4C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6/h3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;7*3-6H,1-2H3;4-5H,3H2,1-2H3;9*3-5H,1-2H3.
What are the key properties of 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene)?
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) has a molecular weight of 2663.15 g/mol, XLogP of 51.14, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);bis(3-propan-2-ylthiophene) is sourced from PubChem (CID 158918065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).