[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane

C11H13Cl2NOSi — CID 123844422

IUPAC[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOSi/c1-14-11(15-16(2,3)4)10-8(12)6-5-7-9(10)13/h5-7,11H,2-4H3
InChIKeyLMYSFWBKFISGEP-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.76
Rot. Bonds3

About [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane

[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane (PubChem CID 123844422) has the molecular formula C11H13Cl2NOSi and a molecular weight of 274.22 g/mol. Its IUPAC name is [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane.

Molecular Properties

Compound Name[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane
PubChem CID123844422
Molecular FormulaC11H13Cl2NOSi
Molecular Weight274.22 g/mol
Exact Mass273.01
IUPAC Name[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOSi/c1-14-11(15-16(2,3)4)10-8(12)6-5-7-9(10)13/h5-7,11H,2-4H3
InChIKeyLMYSFWBKFISGEP-UHFFFAOYSA-N
XLogP4.76
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 594300
CID 594300
CID 123969489
CID 123969489
CID 91737030
CID 91737030
CID 91737125
CID 91737125
CID 11436597
CID 11436597
CID 134996938
CID 134996938
CID 134997572
CID 134997572
CID 91737117
CID 91737117
CID 11460001
CID 11460001
CID 67148850
CID 67148850
CID 123856251
CID 123856251
CID 155655672
CID 155655672

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane?
The IUPAC name of [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane (CID 123844422) is [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane.
What is the SMILES notation for [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane?
The canonical SMILES for [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane is [C-]#[N+]C(O[Si](C)(C)C)c1c(Cl)cccc1Cl.
What is the InChIKey of [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane?
The InChIKey is LMYSFWBKFISGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOSi/c1-14-11(15-16(2,3)4)10-8(12)6-5-7-9(10)13/h5-7,11H,2-4H3.
What are the key properties of [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane?
[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane has a molecular weight of 274.22 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane is sourced from PubChem (CID 123844422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).