1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol

C22H38O6Si — CID 154630127

About 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol

1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol (PubChem CID 154630127) has the molecular formula C22H38O6Si and a molecular weight of 426.63 g/mol. Its IUPAC name is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

• Compound Name: 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol
• PubChem CID: 154630127
• Molecular Formula: C22H38O6Si
• Molecular Weight: 426.63 g/mol
• Exact Mass: 426.24
• IUPAC Name: 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol
• SMILES: C=C(C)C(O)c1c(OCOC)ccc(C(C)O[Si](C)(C)C(C)(C)C)c1OCOC
• InChI: InChI=1S/C22H38O6Si/c1-15(2)20(23)19-18(26-13-24-7)12-11-17(21(19)27-14-25-8)16(3)28-29(9,10)22(4,5)6/h11-12,16,20,23H,1,13-14H2,2-10H3
• InChIKey: IIFBSDBVTGFZSL-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.63
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?

The IUPAC name of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol (CID 154630127) is 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol.

What is the SMILES notation for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?

The canonical SMILES for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol is C=C(C)C(O)c1c(OCOC)ccc(C(C)O[Si](C)(C)C(C)(C)C)c1OCOC.

What is the InChIKey of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?

The InChIKey is IIFBSDBVTGFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O6Si/c1-15(2)20(23)19-18(26-13-24-7)12-11-17(21(19)27-14-25-8)16(3)28-29(9,10)22(4,5)6/h11-12,16,20,23H,1,13-14H2,2-10H3.

What are the key properties of 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol?

1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol has a molecular weight of 426.63 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-bis(methoxymethoxy)phenyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 154630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).