tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane

C19H36O4Si — CID 11279754

IUPACtert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](C[C@@H](CC=C)OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-11-17(22-16-21-14-13-20-6)15-18(12-10-2)23-24(7,8)19(3,4)5/h2,9,17-18H,1,11-16H2,3-8H3/t17-,18+/m1/s1
InChIKeyDYEHLMXXDVGPMX-MSOLQXFVSA-N
MW356.58 g/mol
LogP4.37
Rot. Bonds13

About tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 11279754) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane
PubChem CID11279754
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nametert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](C[C@@H](CC=C)OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-9-11-17(22-16-21-14-13-20-6)15-18(12-10-2)23-24(7,8)19(3,4)5/h2,9,17-18H,1,11-16H2,3-8H3/t17-,18+/m1/s1
InChIKeyDYEHLMXXDVGPMX-MSOLQXFVSA-N
XLogP4.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane (CID 11279754) is tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane is C#CC[C@@H](C[C@@H](CC=C)OCOCCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is DYEHLMXXDVGPMX-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-9-11-17(22-16-21-14-13-20-6)15-18(12-10-2)23-24(7,8)19(3,4)5/h2,9,17-18H,1,11-16H2,3-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 356.58 g/mol, XLogP of 4.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6R)-6-(2-methoxyethoxymethoxy)non-8-en-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11279754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).