triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane

C18H38O2Si2 — CID 42631334

IUPACtriethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane
SMILESC#C[C@@](C)(CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C18H38O2Si2/c1-9-18(8,20-22(13-5,14-6)15-7)16-17-19-21(10-2,11-3)12-4/h1H,10-17H2,2-8H3/t18-/m0/s1
InChIKeyVUCCJEZGJFZPEW-SFHVURJKSA-N
MW342.67 g/mol
LogP5.81
Rot. Bonds12

About triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane

triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane (PubChem CID 42631334) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane.

Molecular Properties

Compound Nametriethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane
PubChem CID42631334
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametriethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane
SMILESC#C[C@@](C)(CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C18H38O2Si2/c1-9-18(8,20-22(13-5,14-6)15-7)16-17-19-21(10-2,11-3)12-4/h1H,10-17H2,2-8H3/t18-/m0/s1
InChIKeyVUCCJEZGJFZPEW-SFHVURJKSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane?
The IUPAC name of triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane (CID 42631334) is triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane.
What is the SMILES notation for triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane?
The canonical SMILES for triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane is C#C[C@@](C)(CCO[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane?
The InChIKey is VUCCJEZGJFZPEW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-9-18(8,20-22(13-5,14-6)15-7)16-17-19-21(10-2,11-3)12-4/h1H,10-17H2,2-8H3/t18-/m0/s1.
What are the key properties of triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane?
triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane has a molecular weight of 342.67 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R)-3-methyl-3-triethylsilyloxypent-4-ynoxy]silane is sourced from PubChem (CID 42631334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).