2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C27H54O12Si2 — CID 161436227

About 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 161436227) has the molecular formula C27H54O12Si2 and a molecular weight of 626.89 g/mol. Its IUPAC name is 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 161436227
• Molecular Formula: C27H54O12Si2
• Molecular Weight: 626.89 g/mol
• Exact Mass: 626.32
• IUPAC Name: 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: C=CCCOCC1CO1.C=CCOCC1CO1.C=C[Si](OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC
• InChI: InChI=1S/C9H20O5Si.C7H12O2.C6H10O2.C5H12O3Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-2-3-4-8-5-7-6-9-7;1-2-3-7-4-6-5-8-6;1-5-9(6-2,7-3)8-4/h9H,4-8H2,1-3H3;2,7H,1,3-6H2;2,6H,1,3-5H2;5H,1H2,2-4H3
• InChIKey: VYRHTDYYASYETF-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 120.66 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.89
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 161436227) is 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

What is the SMILES notation for 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The canonical SMILES for 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is C=CCCOCC1CO1.C=CCOCC1CO1.C=C[Si](OC)(OC)OC.CO[Si](CCCOCC1CO1)(OC)OC.

What is the InChIKey of 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The InChIKey is VYRHTDYYASYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C7H12O2.C6H10O2.C5H12O3Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-2-3-4-8-5-7-6-9-7;1-2-3-7-4-6-5-8-6;1-5-9(6-2,7-3)8-4/h9H,4-8H2,1-3H3;2,7H,1,3-6H2;2,6H,1,3-5H2;5H,1H2,2-4H3.

What are the key properties of 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 626.89 g/mol, XLogP of 2.83, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(but-3-enoxymethyl)oxirane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 161436227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).