[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane

C25H50O2Si3 — CID 10837963

About [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane

[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane (PubChem CID 10837963) has the molecular formula C25H50O2Si3 and a molecular weight of 466.93 g/mol. Its IUPAC name is [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
• PubChem CID: 10837963
• Molecular Formula: C25H50O2Si3
• Molecular Weight: 466.93 g/mol
• Exact Mass: 466.31
• IUPAC Name: [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
• SMILES: C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H50O2Si3/c1-16-19-25(20-17-2,27-30(14,15)24(6,7)8)22(18-21-28(9,10)11)26-29(12,13)23(3,4)5/h16-17,22H,1-2,19-20H2,3-15H3/t22-/m1/s1
• InChIKey: BKPSLTBBYNSFPF-JOCHJYFZSA-N
• XLogP: 8.17
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.93
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane?

The IUPAC name of [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane (CID 10837963) is [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane.

What is the SMILES notation for [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane?

The canonical SMILES for [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane is C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane?

The InChIKey is BKPSLTBBYNSFPF-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H50O2Si3/c1-16-19-25(20-17-2,27-30(14,15)24(6,7)8)22(18-21-28(9,10)11)26-29(12,13)23(3,4)5/h16-17,22H,1-2,19-20H2,3-15H3/t22-/m1/s1.

What are the key properties of [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane?

[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane has a molecular weight of 466.93 g/mol, XLogP of 8.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10837963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).