(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile

C13H25NO3Si — CID 139667644

IUPAC(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile
SMILESCC(C)O[Si](C/C=C/C#N)(OC(C)C)OC(C)C
InChIInChI=1S/C13H25NO3Si/c1-11(2)15-18(16-12(3)4,17-13(5)6)10-8-7-9-14/h7-8,11-13H,10H2,1-6H3/b8-7+
InChIKeyIVMKOBCUFUZVSW-BQYQJAHWSA-N
MW271.43 g/mol
LogP3.28
Rot. Bonds8

About (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile

(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile (PubChem CID 139667644) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile.

Molecular Properties

Compound Name(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile
PubChem CID139667644
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile
SMILESCC(C)O[Si](C/C=C/C#N)(OC(C)C)OC(C)C
InChIInChI=1S/C13H25NO3Si/c1-11(2)15-18(16-12(3)4,17-13(5)6)10-8-7-9-14/h7-8,11-13H,10H2,1-6H3/b8-7+
InChIKeyIVMKOBCUFUZVSW-BQYQJAHWSA-N
XLogP3.28
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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-tri(propan-2-yloxy)silylbut-2-enenitrile?
The IUPAC name of (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile (CID 139667644) is (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile.
What is the SMILES notation for (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile?
The canonical SMILES for (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile is CC(C)O[Si](C/C=C/C#N)(OC(C)C)OC(C)C.
What is the InChIKey of (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile?
The InChIKey is IVMKOBCUFUZVSW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-11(2)15-18(16-12(3)4,17-13(5)6)10-8-7-9-14/h7-8,11-13H,10H2,1-6H3/b8-7+.
What are the key properties of (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile?
(E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile has a molecular weight of 271.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tri(propan-2-yloxy)silylbut-2-enenitrile is sourced from PubChem (CID 139667644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).