2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate

C128H236O36 — CID 159616894

About 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate

2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate (PubChem CID 159616894) has the molecular formula C128H236O36 and a molecular weight of 2351.26 g/mol. Its IUPAC name is 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate
• PubChem CID: 159616894
• Molecular Formula: C128H236O36
• Molecular Weight: 2351.26 g/mol
• Exact Mass: 2349.66
• IUPAC Name: 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate
• SMILES: C/C=C/C(=O)OCC.C/C=C/C(=O)OCCC.C=C(C)C(=O)OCCCCCCOC.C=C(C)C(=O)OCCCCCOC.C=CC(=O)OCC.C=CC(=O)OCCC.C=CC(=O)OCCCC.C=CC(=O)OCCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCC.CCCCCCCOCC1CO1.CCCCCCOCC1CO1.CCCCCOCC1CO1.CCCCOCC1CO1.CCCOCC1CO1.CCOCC1CO1.COCC1CO1
• InChI: InChI=1S/C11H20O3.C10H18O3.C10H20O2.C10H18O2.C9H18O2.C9H16O2.C8H16O2.C8H14O2.C7H14O2.2C7H12O2.C6H12O2.2C6H10O2.C5H10O2.C5H8O2.C4H8O2/c1-10(2)11(12)14-9-7-5-4-6-8-13-3;1-9(2)10(11)13-8-6-4-5-7-12-3;1-2-3-4-5-6-7-11-8-10-9-12-10;1-3-5-6-7-8-9-12-10(11)4-2;1-2-3-4-5-6-10-7-9-8-11-9;1-3-5-6-7-8-11-9(10)4-2;1-2-3-4-5-9-6-8-7-10-8;1-3-5-6-7-10-8(9)4-2;1-2-3-4-8-5-7-6-9-7;1-3-5-6-9-7(8)4-2;1-3-5-7(8)9-6-4-2;1-2-3-7-4-6-5-8-6;1-3-5-6(7)8-4-2;1-3-5-8-6(7)4-2;1-2-6-3-5-4-7-5;1-3-5(6)7-4-2;1-5-2-4-3-6-4/h1,4-9H2,2-3H3;1,4-8H2,2-3H3;10H,2-9H2,1H3;4H,2-3,5-9H2,1H3;9H,2-8H2,1H3;4H,2-3,5-8H2,1H3;8H,2-7H2,1H3;4H,2-3,5-7H2,1H3;7H,2-6H2,1H3;4H,2-3,5-6H2,1H3;3,5H,4,6H2,1-2H3;6H,2-5H2,1H3;3,5H,4H2,1-2H3;4H,2-3,5H2,1H3;5H,2-4H2,1H3;3H,1,4H2,2H3;4H,2-3H2,1H3/b;;;;;;;;;;5-3+;;5-3+
• InChIKey: MNJVAXZYDHYEQY-KXMBYTKASA-N
• XLogP: 25.55
• TPSA: 433.78 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 82
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2351.26
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate?

The IUPAC name of 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate (CID 159616894) is 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate.

What is the SMILES notation for 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate?

The canonical SMILES for 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate is C/C=C/C(=O)OCC.C/C=C/C(=O)OCCC.C=C(C)C(=O)OCCCCCCOC.C=C(C)C(=O)OCCCCCOC.C=CC(=O)OCC.C=CC(=O)OCCC.C=CC(=O)OCCCC.C=CC(=O)OCCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCC.CCCCCCCOCC1CO1.CCCCCCOCC1CO1.CCCCCOCC1CO1.CCCCOCC1CO1.CCCOCC1CO1.CCOCC1CO1.COCC1CO1.

What is the InChIKey of 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate?

The InChIKey is MNJVAXZYDHYEQY-KXMBYTKASA-N. The full InChI is InChI=1S/C11H20O3.C10H18O3.C10H20O2.C10H18O2.C9H18O2.C9H16O2.C8H16O2.C8H14O2.C7H14O2.2C7H12O2.C6H12O2.2C6H10O2.C5H10O2.C5H8O2.C4H8O2/c1-10(2)11(12)14-9-7-5-4-6-8-13-3;1-9(2)10(11)13-8-6-4-5-7-12-3;1-2-3-4-5-6-7-11-8-10-9-12-10;1-3-5-6-7-8-9-12-10(11)4-2;1-2-3-4-5-6-10-7-9-8-11-9;1-3-5-6-7-8-11-9(10)4-2;1-2-3-4-5-9-6-8-7-10-8;1-3-5-6-7-10-8(9)4-2;1-2-3-4-8-5-7-6-9-7;1-3-5-6-9-7(8)4-2;1-3-5-7(8)9-6-4-2;1-2-3-7-4-6-5-8-6;1-3-5-6(7)8-4-2;1-3-5-8-6(7)4-2;1-2-6-3-5-4-7-5;1-3-5(6)7-4-2;1-5-2-4-3-6-4/h1,4-9H2,2-3H3;1,4-8H2,2-3H3;10H,2-9H2,1H3;4H,2-3,5-9H2,1H3;9H,2-8H2,1H3;4H,2-3,5-8H2,1H3;8H,2-7H2,1H3;4H,2-3,5-7H2,1H3;7H,2-6H2,1H3;4H,2-3,5-6H2,1H3;3,5H,4,6H2,1-2H3;6H,2-5H2,1H3;3,5H,4H2,1-2H3;4H,2-3,5H2,1H3;5H,2-4H2,1H3;3H,1,4H2,2H3;4H,2-3H2,1H3/b;;;;;;;;;;5-3+;;5-3+;;;;.

What are the key properties of 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate?

2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate has a molecular weight of 2351.26 g/mol, XLogP of 25.55, 82 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(butoxymethyl)oxirane;butyl prop-2-enoate;2-(ethoxymethyl)oxirane;ethyl (E)-but-2-enoate;ethyl prop-2-enoate;2-(heptoxymethyl)oxirane;heptyl prop-2-enoate;2-(hexoxymethyl)oxirane;hexyl prop-2-enoate;6-methoxyhexyl 2-methylprop-2-enoate;2-(methoxymethyl)oxirane;5-methoxypentyl 2-methylprop-2-enoate;2-(pentoxymethyl)oxirane;pentyl prop-2-enoate;2-(propoxymethyl)oxirane;propyl (E)-but-2-enoate;propyl prop-2-enoate is sourced from PubChem (CID 159616894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).