1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate

C24H50O8Si2 — CID 174978030

About 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate

1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate (PubChem CID 174978030) has the molecular formula C24H50O8Si2 and a molecular weight of 522.83 g/mol. Its IUPAC name is 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate
• PubChem CID: 174978030
• Molecular Formula: C24H50O8Si2
• Molecular Weight: 522.83 g/mol
• Exact Mass: 522.30
• IUPAC Name: 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(CC)C1CCC[Si](OC)(OC)C1(CCC)OC.CCC(O)[Si](C)(OC)OC
• InChI: InChI=1S/C18H34O5Si.C6H16O3Si/c1-8-12-18(20-5)15(11-10-13-24(18,21-6)22-7)16(9-2)23-17(19)14(3)4;1-5-6(7)10(4,8-2)9-3/h15-16H,3,8-13H2,1-2,4-7H3;6-7H,5H2,1-4H3
• InChIKey: MYPZCDNJUIHFSM-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 92.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.83
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate?

The IUPAC name of 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate (CID 174978030) is 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate.

What is the SMILES notation for 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate?

The canonical SMILES for 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)C1CCC[Si](OC)(OC)C1(CCC)OC.CCC(O)[Si](C)(OC)OC.

What is the InChIKey of 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate?

The InChIKey is MYPZCDNJUIHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si.C6H16O3Si/c1-8-12-18(20-5)15(11-10-13-24(18,21-6)22-7)16(9-2)23-17(19)14(3)4;1-5-6(7)10(4,8-2)9-3/h15-16H,3,8-13H2,1-2,4-7H3;6-7H,5H2,1-4H3.

What are the key properties of 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate?

1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate has a molecular weight of 522.83 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[dimethoxy(methyl)silyl]propan-1-ol;1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 174978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).