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

C13H23NOSi — CID 15526501

IUPAC(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)/C=C/C1CC1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12(10-14)9-8-11-6-7-11/h8-9,11-12H,6-7H2,1-5H3/b9-8+
InChIKeyRTZNEISUPIIEIH-CMDGGOBGSA-N
MW237.42 g/mol
LogP3.87
Rot. Bonds4

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

(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile (PubChem CID 15526501) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile.

Molecular Properties

Compound Name(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile
PubChem CID15526501
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)/C=C/C1CC1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12(10-14)9-8-11-6-7-11/h8-9,11-12H,6-7H2,1-5H3/b9-8+
InChIKeyRTZNEISUPIIEIH-CMDGGOBGSA-N
XLogP3.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.87
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-4-cyclopropylbut-3-enenitrile?
The IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile (CID 15526501) is (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile.
What is the SMILES notation for (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile?
The canonical SMILES for (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile is CC(C)(C)[Si](C)(C)OC(C#N)/C=C/C1CC1.
What is the InChIKey of (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile?
The InChIKey is RTZNEISUPIIEIH-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12(10-14)9-8-11-6-7-11/h8-9,11-12H,6-7H2,1-5H3/b9-8+.
What are the key properties of (E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile?
(E)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropylbut-3-enenitrile has a molecular weight of 237.42 g/mol, XLogP of 3.87, 4 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-4-cyclopropylbut-3-enenitrile is sourced from PubChem (CID 15526501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).