6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate

C116H158O27S13 — CID 159272309

About 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate

6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate (PubChem CID 159272309) has the molecular formula C116H158O27S13 and a molecular weight of 2401.38 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate
• PubChem CID: 159272309
• Molecular Formula: C116H158O27S13
• Molecular Weight: 2401.38 g/mol
• Exact Mass: 2398.74
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate
• SMILES: CCCCCCc1cc(C)sc1-c1cc(CC(=O)O)c(C)s1.Cc1cc(CCCCCCCCOC=O)c(C)s1.Cc1cc(CCCCCCOC=O)c(C)s1.Cc1cc(COOC=O)c(C)s1.Cc1cc(CSOC=O)c(C)s1.Cc1cc(OCCCOC=O)c(C)s1.Cc1cc(OCCOCCOC=O)c(C)s1.Cc1cc(OCOC=O)c(C)s1.Cc1ccc(-c2cc(CCOC=O)c(C)s2)s1.Cc1sc(C)c(CCC(=O)O)c1CCOC=O
• InChI: InChI=1S/C18H24O2S2.C15H24O2S.C13H14O2S2.C13H20O2S.C12H16O4S.C11H16O4S.C10H14O3S.2C8H10O3S.C8H10O2S2/c1-4-5-6-7-8-14-9-12(2)21-18(14)16-10-15(11-17(19)20)13(3)22-16;1-13-11-15(14(2)18-13)9-7-5-3-4-6-8-10-17-12-16;1-9-3-4-12(16-9)13-7-11(10(2)17-13)5-6-15-8-14;1-11-9-13(12(2)16-11)7-5-3-4-6-8-15-10-14;1-8-10(3-4-12(14)15)11(9(2)17-8)5-6-16-7-13;1-9-7-11(10(2)16-9)15-6-5-13-3-4-14-8-12;1-8-6-10(9(2)14-8)13-5-3-4-12-7-11;1-6-3-8(7(2)12-6)11-5-10-4-9;1-6-3-8(7(2)12-6)4-10-11-5-9;1-6-3-8(7(2)12-6)4-11-10-5-9/h9-10H,4-8,11H2,1-3H3,(H,19,20);11-12H,3-10H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3;7H,3-6H2,1-2H3,(H,14,15);7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-4H,5H2,1-2H3;2*3,5H,4H2,1-2H3
• InChIKey: KXWDTFDKJQSHFP-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 357.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 64
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2401.38
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate?

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate (CID 159272309) is 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate.

What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate is CCCCCCc1cc(C)sc1-c1cc(CC(=O)O)c(C)s1.Cc1cc(CCCCCCCCOC=O)c(C)s1.Cc1cc(CCCCCCOC=O)c(C)s1.Cc1cc(COOC=O)c(C)s1.Cc1cc(CSOC=O)c(C)s1.Cc1cc(OCCCOC=O)c(C)s1.Cc1cc(OCCOCCOC=O)c(C)s1.Cc1cc(OCOC=O)c(C)s1.Cc1ccc(-c2cc(CCOC=O)c(C)s2)s1.Cc1sc(C)c(CCC(=O)O)c1CCOC=O.

What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate?

The InChIKey is KXWDTFDKJQSHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2S2.C15H24O2S.C13H14O2S2.C13H20O2S.C12H16O4S.C11H16O4S.C10H14O3S.2C8H10O3S.C8H10O2S2/c1-4-5-6-7-8-14-9-12(2)21-18(14)16-10-15(11-17(19)20)13(3)22-16;1-13-11-15(14(2)18-13)9-7-5-3-4-6-8-10-17-12-16;1-9-3-4-12(16-9)13-7-11(10(2)17-13)5-6-15-8-14;1-11-9-13(12(2)16-11)7-5-3-4-6-8-15-10-14;1-8-10(3-4-12(14)15)11(9(2)17-8)5-6-16-7-13;1-9-7-11(10(2)16-9)15-6-5-13-3-4-14-8-12;1-8-6-10(9(2)14-8)13-5-3-4-12-7-11;1-6-3-8(7(2)12-6)11-5-10-4-9;1-6-3-8(7(2)12-6)4-10-11-5-9;1-6-3-8(7(2)12-6)4-11-10-5-9/h9-10H,4-8,11H2,1-3H3,(H,19,20);11-12H,3-10H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3;7H,3-6H2,1-2H3,(H,14,15);7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-4H,5H2,1-2H3;2*3,5H,4H2,1-2H3.

What are the key properties of 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate?

6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate has a molecular weight of 2401.38 g/mol, XLogP of 30.58, 64 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)hexyl formate;(2,5-dimethylthiophen-3-yl)methoxy formate;(2,5-dimethylthiophen-3-yl)methylsulfanyl formate;8-(2,5-dimethylthiophen-3-yl)octyl formate;2-[2-(2,5-dimethylthiophen-3-yl)oxyethoxy]ethyl formate;(2,5-dimethylthiophen-3-yl)oxymethyl formate;3-(2,5-dimethylthiophen-3-yl)oxypropyl formate;3-[4-(2-formyloxyethyl)-2,5-dimethylthiophen-3-yl]propanoic acid;2-[5-(3-hexyl-5-methylthiophen-2-yl)-2-methylthiophen-3-yl]acetic acid;2-[2-methyl-5-(5-methylthiophen-2-yl)thiophen-3-yl]ethyl formate is sourced from PubChem (CID 159272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).