(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile

C14H27NOSi — CID 15526503

IUPAC(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile
SMILESCC(C)(C)/C=C/C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-13(2,3)10-9-12(11-15)16-17(7,8)14(4,5)6/h9-10,12H,1-8H3/b10-9+
InChIKeyOGLWYXBEFCXBRE-MDZDMXLPSA-N
MW253.46 g/mol
LogP4.50
Rot. Bonds3

About (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile

(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile (PubChem CID 15526503) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile.

Molecular Properties

Compound Name(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile
PubChem CID15526503
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile
SMILESCC(C)(C)/C=C/C(C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-13(2,3)10-9-12(11-15)16-17(7,8)14(4,5)6/h9-10,12H,1-8H3/b10-9+
InChIKeyOGLWYXBEFCXBRE-MDZDMXLPSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.50
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 (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile?
The IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile (CID 15526503) is (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile.
What is the SMILES notation for (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile?
The canonical SMILES for (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile is CC(C)(C)/C=C/C(C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile?
The InChIKey is OGLWYXBEFCXBRE-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-13(2,3)10-9-12(11-15)16-17(7,8)14(4,5)6/h9-10,12H,1-8H3/b10-9+.
What are the key properties of (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile?
(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile is sourced from PubChem (CID 15526503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).