(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile

C11H21NO2Si2 — CID 101092842

IUPAC(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile
SMILESC=C(/C=C(\C#N)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H21NO2Si2/c1-10(13-15(2,3)4)8-11(9-12)14-16(5,6)7/h8H,1H2,2-7H3/b11-8+
InChIKeyKLQLDZYRUVLVDI-DHZHZOJOSA-N
MW255.47 g/mol
LogP3.61
Rot. Bonds5

About (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile

(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile (PubChem CID 101092842) has the molecular formula C11H21NO2Si2 and a molecular weight of 255.47 g/mol. Its IUPAC name is (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile
PubChem CID101092842
Molecular FormulaC11H21NO2Si2
Molecular Weight255.47 g/mol
Exact Mass255.11
IUPAC Name(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile
SMILESC=C(/C=C(\C#N)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H21NO2Si2/c1-10(13-15(2,3)4)8-11(9-12)14-16(5,6)7/h8H,1H2,2-7H3/b11-8+
InChIKeyKLQLDZYRUVLVDI-DHZHZOJOSA-N
XLogP3.61
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile?
The IUPAC name of (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile (CID 101092842) is (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile?
The canonical SMILES for (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile is C=C(/C=C(\C#N)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile?
The InChIKey is KLQLDZYRUVLVDI-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21NO2Si2/c1-10(13-15(2,3)4)8-11(9-12)14-16(5,6)7/h8H,1H2,2-7H3/b11-8+.
What are the key properties of (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile?
(2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile has a molecular weight of 255.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2,4-bis(trimethylsilyloxy)penta-2,4-dienenitrile is sourced from PubChem (CID 101092842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).