2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane

C12H18BrNO4Si — CID 150037173

IUPAC2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18BrNO4Si/c1-19(2,3)7-6-17-9-18-12-5-4-10(13)8-11(12)14(15)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDIMVHJUFBLOCKK-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.05
Rot. Bonds7

About 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane

2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 150037173) has the molecular formula C12H18BrNO4Si and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane
PubChem CID150037173
Molecular FormulaC12H18BrNO4Si
Molecular Weight348.27 g/mol
Exact Mass347.02
IUPAC Name2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18BrNO4Si/c1-19(2,3)7-6-17-9-18-12-5-4-10(13)8-11(12)14(15)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDIMVHJUFBLOCKK-UHFFFAOYSA-N
XLogP4.05
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane (CID 150037173) is 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is DIMVHJUFBLOCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4Si/c1-19(2,3)7-6-17-9-18-12-5-4-10(13)8-11(12)14(15)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 348.27 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-nitrophenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150037173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).