3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile

C14H23NO2Si — CID 125490091

IUPAC3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile
SMILESC#C[C@@](C)(O[Si](CC)(CC)CC)C1(C#N)COC1
InChIInChI=1S/C14H23NO2Si/c1-6-13(5,14(10-15)11-16-12-14)17-18(7-2,8-3)9-4/h1H,7-9,11-12H2,2-5H3/t13-/m1/s1
InChIKeyPGLPNBYHDTWXPG-CYBMUJFWSA-N
MW265.43 g/mol
LogP2.94
Rot. Bonds6

About 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile

3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile (PubChem CID 125490091) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile
PubChem CID125490091
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile
SMILESC#C[C@@](C)(O[Si](CC)(CC)CC)C1(C#N)COC1
InChIInChI=1S/C14H23NO2Si/c1-6-13(5,14(10-15)11-16-12-14)17-18(7-2,8-3)9-4/h1H,7-9,11-12H2,2-5H3/t13-/m1/s1
InChIKeyPGLPNBYHDTWXPG-CYBMUJFWSA-N
XLogP2.94
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile?
The IUPAC name of 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile (CID 125490091) is 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile is C#C[C@@](C)(O[Si](CC)(CC)CC)C1(C#N)COC1.
What is the InChIKey of 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile?
The InChIKey is PGLPNBYHDTWXPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-6-13(5,14(10-15)11-16-12-14)17-18(7-2,8-3)9-4/h1H,7-9,11-12H2,2-5H3/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile?
3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile has a molecular weight of 265.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile is sourced from PubChem (CID 125490091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).