4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one

C110H185N7O5S11 — CID 158685693

About 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one (PubChem CID 158685693) has the molecular formula C110H185N7O5S11 and a molecular weight of 2038.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one
• PubChem CID: 158685693
• Molecular Formula: C110H185N7O5S11
• Molecular Weight: 2038.47 g/mol
• Exact Mass: 2036.14
• IUPAC Name: 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one
• SMILES: CC(C)(C)CSC=Cc1cc(C(C)(C)C)on1.CC(C)(C)CSC=Cc1cc(C(C)(C)C)sn1.CC(C)(C)CSC=Cc1nc(C(C)(C)C)co1.CC(C)(C)CSC=Cc1nc(C(C)(C)C)cs1.CC(C)(C)CSC=Cc1ncc(C(C)(C)C)o1.CC(C)(C)CSC=Cc1nocc1C(C)(C)C.CC(C)(C)CSC=Cc1nscc1C(C)(C)C.CC(C)(C)CSCCC(=O)C(C)(C)C
• InChI: InChI=1S/4C14H23NOS.3C14H23NS2.C12H24OS/c1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-13(2,3)10-16-8-7-12-15-11(9-17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6;1-13(2,3)10-16-8-7-11-9-12(17-15-11)14(4,5)6;1-11(2,3)9-14-8-7-10(13)12(4,5)6/h7*7-9H,10H2,1-6H3;7-9H2,1-6H3
• InChIKey: IFRZVXHXGPGEBP-UHFFFAOYSA-N
• XLogP: 38.23
• TPSA: 159.86 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.47
LogP ≤ 5	38.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one?

The IUPAC name of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one (CID 158685693) is 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one.

What is the SMILES notation for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one?

The canonical SMILES for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one is CC(C)(C)CSC=Cc1cc(C(C)(C)C)on1.CC(C)(C)CSC=Cc1cc(C(C)(C)C)sn1.CC(C)(C)CSC=Cc1nc(C(C)(C)C)co1.CC(C)(C)CSC=Cc1nc(C(C)(C)C)cs1.CC(C)(C)CSC=Cc1ncc(C(C)(C)C)o1.CC(C)(C)CSC=Cc1nocc1C(C)(C)C.CC(C)(C)CSC=Cc1nscc1C(C)(C)C.CC(C)(C)CSCCC(=O)C(C)(C)C.

What is the InChIKey of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one?

The InChIKey is IFRZVXHXGPGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H23NOS.3C14H23NS2.C12H24OS/c1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-13(2,3)10-16-8-7-12-15-11(9-17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6;1-13(2,3)10-16-8-7-11-9-12(17-15-11)14(4,5)6;1-11(2,3)9-14-8-7-10(13)12(4,5)6/h7*7-9H,10H2,1-6H3;7-9H2,1-6H3.

What are the key properties of 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one?

4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one has a molecular weight of 2038.47 g/mol, XLogP of 38.23, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole;1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 158685693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).