1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane

C65H112O15 — CID 157479141

About 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane

1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane (PubChem CID 157479141) has the molecular formula C65H112O15 and a molecular weight of 1133.60 g/mol. Its IUPAC name is 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane.

Molecular Properties

• Compound Name: 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane
• PubChem CID: 157479141
• Molecular Formula: C65H112O15
• Molecular Weight: 1133.60 g/mol
• Exact Mass: 1132.80
• IUPAC Name: 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane
• SMILES: C=CCCC(C)(CC)COC=C.C=COCC(C)COC=C.C=COCC(CC)(COC=C)COC=C.C=COCC(CC)(COC=C)COCC(COC=C)(COC=C)COC=C.C=COCC(CC)OC=C.C=COCCC
• InChI: InChI=1S/C21H34O6.C12H20O3.C11H20O.2C8H14O2.C5H10O/c1-7-20(13-22-8-2,14-23-9-3)15-27-19-21(16-24-10-4,17-25-11-5)18-26-12-6;1-5-12(9-13-6-2,10-14-7-3)11-15-8-4;1-5-8-9-11(4,6-2)10-12-7-3;1-4-9-6-8(3)7-10-5-2;1-4-8(10-6-3)7-9-5-2;1-3-5-6-4-2/h8-12H,2-7,13-19H2,1H3;6-8H,2-5,9-11H2,1H3;5,7H,1,3,6,8-10H2,2,4H3;4-5,8H,1-2,6-7H2,3H3;5-6,8H,2-4,7H2,1H3;4H,2-3,5H2,1H3
• InChIKey: BVYKGNWWUPOWQA-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 138.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 52
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.60
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane?

The IUPAC name of 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane (CID 157479141) is 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane.

What is the SMILES notation for 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane?

The canonical SMILES for 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane is C=CCCC(C)(CC)COC=C.C=COCC(C)COC=C.C=COCC(CC)(COC=C)COC=C.C=COCC(CC)(COC=C)COCC(COC=C)(COC=C)COC=C.C=COCC(CC)OC=C.C=COCCC.

What is the InChIKey of 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane?

The InChIKey is BVYKGNWWUPOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O6.C12H20O3.C11H20O.2C8H14O2.C5H10O/c1-7-20(13-22-8-2,14-23-9-3)15-27-19-21(16-24-10-4,17-25-11-5)18-26-12-6;1-5-12(9-13-6-2,10-14-7-3)11-15-8-4;1-5-8-9-11(4,6-2)10-12-7-3;1-4-9-6-8(3)7-10-5-2;1-4-8(10-6-3)7-9-5-2;1-3-5-6-4-2/h8-12H,2-7,13-19H2,1H3;6-8H,2-5,9-11H2,1H3;5,7H,1,3,6,8-10H2,2,4H3;4-5,8H,1-2,6-7H2,3H3;5-6,8H,2-4,7H2,1H3;4H,2-3,5H2,1H3.

What are the key properties of 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane?

1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane has a molecular weight of 1133.60 g/mol, XLogP of 16.16, 52 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-bis(ethenoxy)butane;1,3-bis(ethenoxy)-2-methylpropane;1-ethenoxy-2,2-bis(ethenoxymethyl)butane;1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane;5-(ethenoxymethyl)-5-methylhept-1-ene;1-ethenoxypropane is sourced from PubChem (CID 157479141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).