triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane

C32H58O4Si2 — CID 177405989

About triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane

triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane (PubChem CID 177405989) has the molecular formula C32H58O4Si2 and a molecular weight of 562.98 g/mol. Its IUPAC name is triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane.

Molecular Properties

• Compound Name: triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane
• PubChem CID: 177405989
• Molecular Formula: C32H58O4Si2
• Molecular Weight: 562.98 g/mol
• Exact Mass: 562.39
• IUPAC Name: triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane
• SMILES: C=CC/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](COCc1ccc(OC)cc1)O[Si](CC)(CC)CC
• InChI: InChI=1S/C32H58O4Si2/c1-12-16-29(21-22-35-38(26(5)6,27(7)8)28(9)10)23-32(36-37(13-2,14-3)15-4)25-34-24-30-17-19-31(33-11)20-18-30/h12,17-21,26-28,32H,1,13-16,22-25H2,2-11H3/b29-21-/t32-/m1/s1
• InChIKey: GUIJRYRDGUBNPD-GRPHBVMCSA-N
• XLogP: 9.69
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.98
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane?

The IUPAC name of triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane (CID 177405989) is triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane.

What is the SMILES notation for triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane?

The canonical SMILES for triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane is C=CC/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@H](COCc1ccc(OC)cc1)O[Si](CC)(CC)CC.

What is the InChIKey of triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane?

The InChIKey is GUIJRYRDGUBNPD-GRPHBVMCSA-N. The full InChI is InChI=1S/C32H58O4Si2/c1-12-16-29(21-22-35-38(26(5)6,27(7)8)28(9)10)23-32(36-37(13-2,14-3)15-4)25-34-24-30-17-19-31(33-11)20-18-30/h12,17-21,26-28,32H,1,13-16,22-25H2,2-11H3/b29-21-/t32-/m1/s1.

What are the key properties of triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane?

triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane has a molecular weight of 562.98 g/mol, XLogP of 9.69, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(2R,4Z)-1-[(4-methoxyphenyl)methoxy]-4-[2-tri(propan-2-yl)silyloxyethylidene]hept-6-en-2-yl]oxysilane is sourced from PubChem (CID 177405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).