triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane

C11H19Cl3OSi — CID 101187830

IUPACtriethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane
SMILESC#CC[C@@H](O[Si](CC)(CC)CC)C(Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3OSi/c1-5-9-10(11(12,13)14)15-16(6-2,7-3)8-4/h1,10H,6-9H2,2-4H3/t10-/m1/s1
InChIKeyORPAYLFPESFYQG-SNVBAGLBSA-N
MW301.72 g/mol
LogP4.77
Rot. Bonds6

About triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane

triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane (PubChem CID 101187830) has the molecular formula C11H19Cl3OSi and a molecular weight of 301.72 g/mol. Its IUPAC name is triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane
PubChem CID101187830
Molecular FormulaC11H19Cl3OSi
Molecular Weight301.72 g/mol
Exact Mass300.03
IUPAC Nametriethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane
SMILESC#CC[C@@H](O[Si](CC)(CC)CC)C(Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3OSi/c1-5-9-10(11(12,13)14)15-16(6-2,7-3)8-4/h1,10H,6-9H2,2-4H3/t10-/m1/s1
InChIKeyORPAYLFPESFYQG-SNVBAGLBSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane?
The IUPAC name of triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane (CID 101187830) is triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane?
The canonical SMILES for triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane is C#CC[C@@H](O[Si](CC)(CC)CC)C(Cl)(Cl)Cl.
What is the InChIKey of triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane?
The InChIKey is ORPAYLFPESFYQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19Cl3OSi/c1-5-9-10(11(12,13)14)15-16(6-2,7-3)8-4/h1,10H,6-9H2,2-4H3/t10-/m1/s1.
What are the key properties of triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane?
triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane has a molecular weight of 301.72 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2R)-1,1,1-trichloropent-4-yn-2-yl]oxysilane is sourced from PubChem (CID 101187830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).