[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane

C58H89Cl3O20Si4 — CID 158663288

About [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane

[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane (PubChem CID 158663288) has the molecular formula C58H89Cl3O20Si4 and a molecular weight of 1325.03 g/mol. Its IUPAC name is [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane.

Molecular Properties

• Compound Name: [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane
• PubChem CID: 158663288
• Molecular Formula: C58H89Cl3O20Si4
• Molecular Weight: 1325.03 g/mol
• Exact Mass: 1322.41
• IUPAC Name: [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane
• SMILES: CCO[Si](Cc1ccc(OCOC)cc1)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccc(OC(C)OC)cc1.COC(C)Oc1ccc(C[Si](OC(C)=O)(OC(C)=O)OC(C)=O)cc1.Cl[Si](Cl)(Cl)Cc1ccc(OC2CCCCO2)cc1
• InChI: InChI=1S/C16H22O8Si.2C15H26O5Si.C12H15Cl3O2Si/c1-11(17)22-25(23-12(2)18,24-13(3)19)10-15-6-8-16(9-7-15)21-14(4)20-5;1-6-17-21(18-7-2,19-8-3)15-11-9-14(10-12-15)20-13(4)16-5;1-5-18-21(19-6-2,20-7-3)12-14-8-10-15(11-9-14)17-13-16-4;13-18(14,15)9-10-4-6-11(7-5-10)17-12-3-1-2-8-16-12/h6-9,14H,10H2,1-5H3;9-13H,6-8H2,1-5H3;8-11H,5-7,12-13H2,1-4H3;4-7,12H,1-3,8-9H2
• InChIKey: IDAJCMRJXRXHKK-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 208.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.03
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane?

The IUPAC name of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane (CID 158663288) is [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane.

What is the SMILES notation for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane?

The canonical SMILES for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane is CCO[Si](Cc1ccc(OCOC)cc1)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccc(OC(C)OC)cc1.COC(C)Oc1ccc(C[Si](OC(C)=O)(OC(C)=O)OC(C)=O)cc1.Cl[Si](Cl)(Cl)Cc1ccc(OC2CCCCO2)cc1.

What is the InChIKey of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane?

The InChIKey is IDAJCMRJXRXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8Si.2C15H26O5Si.C12H15Cl3O2Si/c1-11(17)22-25(23-12(2)18,24-13(3)19)10-15-6-8-16(9-7-15)21-14(4)20-5;1-6-17-21(18-7-2,19-8-3)15-11-9-14(10-12-15)20-13(4)16-5;1-5-18-21(19-6-2,20-7-3)12-14-8-10-15(11-9-14)17-13-16-4;13-18(14,15)9-10-4-6-11(7-5-10)17-12-3-1-2-8-16-12/h6-9,14H,10H2,1-5H3;9-13H,6-8H2,1-5H3;8-11H,5-7,12-13H2,1-4H3;4-7,12H,1-3,8-9H2.

What are the key properties of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane?

[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane has a molecular weight of 1325.03 g/mol, XLogP of 11.21, 33 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane is sourced from PubChem (CID 158663288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).