3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)

C271H488N8O13S13 — CID 158055509

About 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)

3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) (PubChem CID 158055509) has the molecular formula C271H488N8O13S13 and a molecular weight of 4483.80 g/mol. Its IUPAC name is 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene).

Molecular Properties

• Compound Name: 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)
• PubChem CID: 158055509
• Molecular Formula: C271H488N8O13S13
• Molecular Weight: 4483.80 g/mol
• Exact Mass: 4479.41
• IUPAC Name: 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(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)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/C=C/c1ccco1.CC(C)C/C=C/c1cccs1.CC(C)C/C=C/c1ncco1.CC(C)C/C=C/c1nccs1.CC(C)CC#Cc1ccco1.CC(C)CCCc1ccco1.CC(C)CCCc1cccs1.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.C10H16O.C10H14O.C10H12O.C10H16S.C10H14S.C9H15NO.C9H13NO.C9H15NS.C9H13NS.C9H14O2.C9H14OS.3C8H13NOS.C8H13NS2.20C4H10/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;5*1-9(2)5-3-6-10-7-4-8-11-10;4*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;20*1-4(2)3/h5*3-7,10H,8-9H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;3-4,6-9H,5H2,1-2H3;4,7-9H,5H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;3-4,6-9H,5H2,1-2H3;6-8H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;6-8H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-5,7H,3,6H2,1-2H3;3*4,6-7H,3,5H2,1-2H3;20*4H,1-3H3/b;;;;;;6-3+;;;6-3+;;5-3+;;5-3+
• InChIKey: FJZQNKMJZOVHGG-HBPGBKFKSA-N
• XLogP: 95.32
• TPSA: 250.48 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 73
• Heavy Atoms: 305
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4483.80
LogP ≤ 5	95.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The IUPAC name of 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) (CID 158055509) is 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene).

What is the SMILES notation for 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The canonical SMILES for 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(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)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/C=C/c1ccco1.CC(C)C/C=C/c1cccs1.CC(C)C/C=C/c1ncco1.CC(C)C/C=C/c1nccs1.CC(C)CC#Cc1ccco1.CC(C)CCCc1ccco1.CC(C)CCCc1cccs1.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 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

The InChIKey is FJZQNKMJZOVHGG-HBPGBKFKSA-N. The full InChI is InChI=1S/2C11H16O.3C11H16S.C10H16O.C10H14O.C10H12O.C10H16S.C10H14S.C9H15NO.C9H13NO.C9H15NS.C9H13NS.C9H14O2.C9H14OS.3C8H13NOS.C8H13NS2.20C4H10/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;5*1-9(2)5-3-6-10-7-4-8-11-10;4*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;20*1-4(2)3/h5*3-7,10H,8-9H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;3-4,6-9H,5H2,1-2H3;4,7-9H,5H2,1-2H3;4,7-9H,3,5-6H2,1-2H3;3-4,6-9H,5H2,1-2H3;6-8H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;6-8H,3-5H2,1-2H3;3,5-8H,4H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-5,7H,3,6H2,1-2H3;3*4,6-7H,3,5H2,1-2H3;20*4H,1-3H3/b;;;;;;6-3+;;;6-3+;;5-3+;;5-3+;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene)?

3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) has a molecular weight of 4483.80 g/mol, XLogP of 95.32, 73 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylbutoxybenzene;bis(2-(3-methylbutoxy)-1,3-thiazole);3-methylbutylsulfanylbenzene;2-(3-methylbutylsulfanyl)-1,3-oxazole;2-(3-methylbutylsulfanyl)-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)-1,3-oxazole;2-(4-methylpentyl)-1,3-thiazole;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;icosakis(2-methylpropane);2-methylpropoxymethylbenzene;2-(2-methylpropoxymethyl)furan;2-(2-methylpropoxymethyl)thiophene;bis(2-methylpropylsulfanylmethylbenzene) is sourced from PubChem (CID 158055509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).