1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea

C7H15Cl3N2O2Si — CID 91709998

IUPAC1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea
SMILESCNC(=O)NC(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H15Cl3N2O2Si/c1-11-6(13)12-5(7(8,9)10)14-15(2,3)4/h5H,1-4H3,(H2,11,12,13)
InChIKeyHBCMEWLVDAUVPF-UHFFFAOYSA-N
MW293.65 g/mol
LogP2.46
Rot. Bonds3

About 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea

1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea (PubChem CID 91709998) has the molecular formula C7H15Cl3N2O2Si and a molecular weight of 293.65 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea
PubChem CID91709998
Molecular FormulaC7H15Cl3N2O2Si
Molecular Weight293.65 g/mol
Exact Mass292.00
IUPAC Name1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea
SMILESCNC(=O)NC(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H15Cl3N2O2Si/c1-11-6(13)12-5(7(8,9)10)14-15(2,3)4/h5H,1-4H3,(H2,11,12,13)
InChIKeyHBCMEWLVDAUVPF-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.65
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea?
The IUPAC name of 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea (CID 91709998) is 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea.
What is the SMILES notation for 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea?
The canonical SMILES for 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea is CNC(=O)NC(O[Si](C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea?
The InChIKey is HBCMEWLVDAUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl3N2O2Si/c1-11-6(13)12-5(7(8,9)10)14-15(2,3)4/h5H,1-4H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea?
1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea has a molecular weight of 293.65 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trichloro-1-trimethylsilyloxyethyl)urea is sourced from PubChem (CID 91709998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).