(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile

C10H19NOSi — CID 12633140

IUPAC(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/C(C#N)(CC)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-6-8-10(7-2,9-11)12-13(3,4)5/h6,8H,7H2,1-5H3/b8-6+
InChIKeyJRKCQTTVBSBPFX-SOFGYWHQSA-N
MW197.35 g/mol
LogP3.09
Rot. Bonds4

About (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile

(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile (PubChem CID 12633140) has the molecular formula C10H19NOSi and a molecular weight of 197.35 g/mol. Its IUPAC name is (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile
PubChem CID12633140
Molecular FormulaC10H19NOSi
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/C(C#N)(CC)O[Si](C)(C)C
InChIInChI=1S/C10H19NOSi/c1-6-8-10(7-2,9-11)12-13(3,4)5/h6,8H,7H2,1-5H3/b8-6+
InChIKeyJRKCQTTVBSBPFX-SOFGYWHQSA-N
XLogP3.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.09
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-ethyl-2-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile (CID 12633140) is (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile is C/C=C/C(C#N)(CC)O[Si](C)(C)C.
What is the InChIKey of (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile?
The InChIKey is JRKCQTTVBSBPFX-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19NOSi/c1-6-8-10(7-2,9-11)12-13(3,4)5/h6,8H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile?
(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile has a molecular weight of 197.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 12633140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).