(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile

C14H25NOSi — CID 18653743

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)C1CC=CCC1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-7,12-13H,8-10H2,1-5H3/t12?,13-/m0/s1
InChIKeyUJJXXYZFEOKNKJ-ABLWVSNPSA-N
MW251.45 g/mol
LogP4.26
Rot. Bonds3

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile (PubChem CID 18653743) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile
PubChem CID18653743
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C#N)C1CC=CCC1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-7,12-13H,8-10H2,1-5H3/t12?,13-/m0/s1
InChIKeyUJJXXYZFEOKNKJ-ABLWVSNPSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile (CID 18653743) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile is CC(C)(C)[Si](C)(C)O[C@@H](C#N)C1CC=CCC1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile?
The InChIKey is UJJXXYZFEOKNKJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-7,12-13H,8-10H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile has a molecular weight of 251.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohex-3-en-1-ylacetonitrile is sourced from PubChem (CID 18653743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).