tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane

C23H48O2Si2 — CID 11258456

About tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane (PubChem CID 11258456) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane
• PubChem CID: 11258456
• Molecular Formula: C23H48O2Si2
• Molecular Weight: 412.81 g/mol
• Exact Mass: 412.32
• IUPAC Name: tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane
• SMILES: C/C=C(\O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)CCC
• InChI: InChI=1S/C23H48O2Si2/c1-14-16-18(3)17-19(4)22(25-27(12,13)23(6,7)8)20(5)21(15-2)24-26(9,10)11/h15,17-18,20,22H,14,16H2,1-13H3/b19-17+,21-15-/t18-,20+,22-/m1/s1
• InChIKey: NXGVOYYNIGECRV-AWQFSIBBSA-N
• XLogP: 8.15
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.81
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane (CID 11258456) is tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane is C/C=C(\O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)CCC.

What is the InChIKey of tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane?

The InChIKey is NXGVOYYNIGECRV-AWQFSIBBSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-14-16-18(3)17-19(4)22(25-27(12,13)23(6,7)8)20(5)21(15-2)24-26(9,10)11/h15,17-18,20,22H,14,16H2,1-13H3/b19-17+,21-15-/t18-,20+,22-/m1/s1.

What are the key properties of tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane?

tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane has a molecular weight of 412.81 g/mol, XLogP of 8.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11258456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).