(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile

C14H27NOSi — CID 135070619

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile
SMILESCCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-8-9-13(11-15)10-12(2)16-17(6,7)14(3,4)5/h10,13H,8-9H2,1-7H3/b12-10+
InChIKeyFFOYOHHSFBAQKB-ZRDIBKRKSA-N
MW253.46 g/mol
LogP4.85
Rot. Bonds5

About (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile

(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile (PubChem CID 135070619) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile
PubChem CID135070619
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile
SMILESCCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-8-9-13(11-15)10-12(2)16-17(6,7)14(3,4)5/h10,13H,8-9H2,1-7H3/b12-10+
InChIKeyFFOYOHHSFBAQKB-ZRDIBKRKSA-N
XLogP4.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile (CID 135070619) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile is CCCC(C#N)/C=C(\C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile?
The InChIKey is FFOYOHHSFBAQKB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-8-9-13(11-15)10-12(2)16-17(6,7)14(3,4)5/h10,13H,8-9H2,1-7H3/b12-10+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile is sourced from PubChem (CID 135070619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).