tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane

C24H52O4Si2 — CID 139252210

About tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane

tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane (PubChem CID 139252210) has the molecular formula C24H52O4Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane
• PubChem CID: 139252210
• Molecular Formula: C24H52O4Si2
• Molecular Weight: 460.85 g/mol
• Exact Mass: 460.34
• IUPAC Name: tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane
• SMILES: C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC
• InChI: InChI=1S/C24H52O4Si2/c1-14-22(28-30(19(2)3,20(4)5)21(6)7)23(26-18-25-11)16-15-17-27-29(12,13)24(8,9)10/h14,19-23H,1,15-18H2,2-13H3/t22-,23-/m0/s1
• InChIKey: CKNNHGOVLBPJPA-GOTSBHOMSA-N
• XLogP: 7.52
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.85
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane (CID 139252210) is tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)OCOC.

What is the InChIKey of tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane?

The InChIKey is CKNNHGOVLBPJPA-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H52O4Si2/c1-14-22(28-30(19(2)3,20(4)5)21(6)7)23(26-18-25-11)16-15-17-27-29(12,13)24(8,9)10/h14,19-23H,1,15-18H2,2-13H3/t22-,23-/m0/s1.

What are the key properties of tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane?

tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane has a molecular weight of 460.85 g/mol, XLogP of 7.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 139252210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).