methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)

C179H336N6O9S10 — CID 158369726

About methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)

methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) (PubChem CID 158369726) has the molecular formula C179H336N6O9S10 and a molecular weight of 3037.36 g/mol. Its IUPAC name is methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene).

Molecular Properties

• Compound Name: methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)
• PubChem CID: 158369726
• Molecular Formula: C179H336N6O9S10
• Molecular Weight: 3037.36 g/mol
• Exact Mass: 3034.32
• IUPAC Name: methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)
• SMILES: C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCCc1ncco1.CC(C)CCCc1nccs1.CC(C)CCOc1ccccc1.CC(C)CCOc1nccs1.CC(C)CCOc1nccs1.CC(C)CCSc1ccccc1.CC(C)CCSc1ncco1.CC(C)CCSc1nccs1.CC(C)COCc1ccccc1.CC(C)COCc1ccco1.CC(C)COCc1cccs1.CC(C)CSCc1ccccc1.CC(C)CSCc1ccccc1
• InChI: InChI=1S/2C11H16O.3C11H16S.C9H15NO.C9H15NS.C9H14O2.C9H14OS.3C8H13NOS.C8H13NS2.13C4H10.4CH4/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-10(2)8-9-12-11-6-4-3-5-7-11;2*1-10(2)8-12-9-11-6-4-3-5-7-11;1-10(2)8-9-12-11-6-4-3-5-7-11;2*1-8(2)4-3-5-9-10-6-7-11-9;2*1-8(2)6-10-7-9-4-3-5-11-9;1-7(2)3-6-11-8-9-4-5-10-8;3*1-7(2)3-5-10-8-9-4-6-11-8;13*1-4(2)3;;;;/h5*3-7,10H,8-9H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-5,7H,3,6H2,1-2H3;3*4,6-7H,3,5H2,1-2H3;13*4H,1-3H3;4*1H4
• InChIKey: GULRYOUECHMPGJ-UHFFFAOYSA-N
• XLogP: 63.48
• TPSA: 172.14 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 52
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3037.36
LogP ≤ 5	63.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The IUPAC name of methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) (CID 158369726) is methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene).

What is the SMILES notation for methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The canonical SMILES for methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) is C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCCc1ncco1.CC(C)CCCc1nccs1.CC(C)CCOc1ccccc1.CC(C)CCOc1nccs1.CC(C)CCOc1nccs1.CC(C)CCSc1ccccc1.CC(C)CCSc1ncco1.CC(C)CCSc1nccs1.CC(C)COCc1ccccc1.CC(C)COCc1ccco1.CC(C)COCc1cccs1.CC(C)CSCc1ccccc1.CC(C)CSCc1ccccc1.

What is the InChIKey of methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The InChIKey is GULRYOUECHMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O.3C11H16S.C9H15NO.C9H15NS.C9H14O2.C9H14OS.3C8H13NOS.C8H13NS2.13C4H10.4CH4/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-10(2)8-9-12-11-6-4-3-5-7-11;2*1-10(2)8-12-9-11-6-4-3-5-7-11;1-10(2)8-9-12-11-6-4-3-5-7-11;2*1-8(2)4-3-5-9-10-6-7-11-9;2*1-8(2)6-10-7-9-4-3-5-11-9;1-7(2)3-6-11-8-9-4-5-10-8;3*1-7(2)3-5-10-8-9-4-6-11-8;13*1-4(2)3;;;;/h5*3-7,10H,8-9H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-5,7H,3,6H2,1-2H3;3*4,6-7H,3,5H2,1-2H3;13*4H,1-3H3;4*1H4.

What are the key properties of methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) has a molecular weight of 3037.36 g/mol, XLogP of 63.48, 52 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;tridecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) is sourced from PubChem (CID 158369726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).