trimethyl(4-nitrobut-2-enyl)silane

C7H15NO2Si — CID 134975408

IUPACtrimethyl(4-nitrobut-2-enyl)silane
SMILESC[Si](C)(C)CC=CC[N+](=O)[O-]
InChIInChI=1S/C7H15NO2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3
InChIKeyLPADQKMUKFEYND-UHFFFAOYSA-N
MW173.29 g/mol
LogP2.16
Rot. Bonds4

About trimethyl(4-nitrobut-2-enyl)silane

trimethyl(4-nitrobut-2-enyl)silane (PubChem CID 134975408) has the molecular formula C7H15NO2Si and a molecular weight of 173.29 g/mol. Its IUPAC name is trimethyl(4-nitrobut-2-enyl)silane.

Molecular Properties

Compound Nametrimethyl(4-nitrobut-2-enyl)silane
PubChem CID134975408
Molecular FormulaC7H15NO2Si
Molecular Weight173.29 g/mol
Exact Mass173.09
IUPAC Nametrimethyl(4-nitrobut-2-enyl)silane
SMILESC[Si](C)(C)CC=CC[N+](=O)[O-]
InChIInChI=1S/C7H15NO2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3
InChIKeyLPADQKMUKFEYND-UHFFFAOYSA-N
XLogP2.16
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.29
LogP ≤ 52.16
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(4-nitrobut-2-enyl)silane?
The IUPAC name of trimethyl(4-nitrobut-2-enyl)silane (CID 134975408) is trimethyl(4-nitrobut-2-enyl)silane.
What is the SMILES notation for trimethyl(4-nitrobut-2-enyl)silane?
The canonical SMILES for trimethyl(4-nitrobut-2-enyl)silane is C[Si](C)(C)CC=CC[N+](=O)[O-].
What is the InChIKey of trimethyl(4-nitrobut-2-enyl)silane?
The InChIKey is LPADQKMUKFEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2Si/c1-11(2,3)7-5-4-6-8(9)10/h4-5H,6-7H2,1-3H3.
What are the key properties of trimethyl(4-nitrobut-2-enyl)silane?
trimethyl(4-nitrobut-2-enyl)silane has a molecular weight of 173.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-nitrobut-2-enyl)silane is sourced from PubChem (CID 134975408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).