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

C145H268N6O10S7 — CID 158510385

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

3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene (PubChem CID 158510385) has the molecular formula C145H268N6O10S7 and a molecular weight of 2480.24 g/mol. Its IUPAC name is 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene.

Molecular Properties

• Compound Name: 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene
• PubChem CID: 158510385
• Molecular Formula: C145H268N6O10S7
• Molecular Weight: 2480.24 g/mol
• Exact Mass: 2477.87
• IUPAC Name: 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene
• SMILES: 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)CCOc1ncco1.CC(C)CCOc1nccs1.CC(C)CCSc1ncco1.CC(C)CCSc1nccs1.CC(C)COCc1ccccc1.CC(C)COCc1ccco1.CC(C)COCc1cccs1.CC(C)CSCc1ccccc1
• InChI: InChI=1S/2C11H16O.C11H16S.C9H15NO.C9H15NS.C9H14O2.C9H14OS.C8H13NO2.2C8H13NOS.C8H13NS2.11C4H10/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;1-10(2)8-12-9-11-6-4-3-5-7-11;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)3-5-10-8-9-4-6-11-8;1-7(2)3-6-11-8-9-4-5-10-8;2*1-7(2)3-5-10-8-9-4-6-11-8;11*1-4(2)3/h3*3-7,10H,8-9H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4,6-7H,3,5H2,1-2H3;4-5,7H,3,6H2,1-2H3;2*4,6-7H,3,5H2,1-2H3;11*4H,1-3H3
• InChIKey: HKZBMCHSSLKQEE-UHFFFAOYSA-N
• XLogP: 49.74
• TPSA: 185.28 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 44
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2480.24
LogP ≤ 5	49.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene (CID 158510385) is 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene.

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

The canonical SMILES for 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene is 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)CCOc1ncco1.CC(C)CCOc1nccs1.CC(C)CCSc1ncco1.CC(C)CCSc1nccs1.CC(C)COCc1ccccc1.CC(C)COCc1ccco1.CC(C)COCc1cccs1.CC(C)CSCc1ccccc1.

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

The InChIKey is HKZBMCHSSLKQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O.C11H16S.C9H15NO.C9H15NS.C9H14O2.C9H14OS.C8H13NO2.2C8H13NOS.C8H13NS2.11C4H10/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;1-10(2)8-12-9-11-6-4-3-5-7-11;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)3-5-10-8-9-4-6-11-8;1-7(2)3-6-11-8-9-4-5-10-8;2*1-7(2)3-5-10-8-9-4-6-11-8;11*1-4(2)3/h3*3-7,10H,8-9H2,1-2H3;2*6-8H,3-5H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4,6-7H,3,5H2,1-2H3;4-5,7H,3,6H2,1-2H3;2*4,6-7H,3,5H2,1-2H3;11*4H,1-3H3.

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

3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene has a molecular weight of 2480.24 g/mol, XLogP of 49.74, 44 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylbutoxybenzene;2-(3-methylbutoxy)-1,3-oxazole;2-(3-methylbutoxy)-1,3-thiazole;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;undecakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;2-methylpropylsulfanylmethylbenzene is sourced from PubChem (CID 158510385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).