(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane

C16H19NOSi — CID 134997889

IUPAC(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NOSi/c1-16(17-2,18-19(3,4)5)15-11-10-13-8-6-7-9-14(13)12-15/h6-12H,1,3-5H3
InChIKeyFAOMUFXFCXSMMP-UHFFFAOYSA-N
MW269.42 g/mol
LogP4.78
Rot. Bonds3

About (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane

(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane (PubChem CID 134997889) has the molecular formula C16H19NOSi and a molecular weight of 269.42 g/mol. Its IUPAC name is (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane
PubChem CID134997889
Molecular FormulaC16H19NOSi
Molecular Weight269.42 g/mol
Exact Mass269.12
IUPAC Name(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NOSi/c1-16(17-2,18-19(3,4)5)15-11-10-13-8-6-7-9-14(13)12-15/h6-12H,1,3-5H3
InChIKeyFAOMUFXFCXSMMP-UHFFFAOYSA-N
XLogP4.78
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane?
The IUPAC name of (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane (CID 134997889) is (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane.
What is the SMILES notation for (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane?
The canonical SMILES for (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane?
The InChIKey is FAOMUFXFCXSMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOSi/c1-16(17-2,18-19(3,4)5)15-11-10-13-8-6-7-9-14(13)12-15/h6-12H,1,3-5H3.
What are the key properties of (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane?
(1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane has a molecular weight of 269.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-1-naphthalen-2-ylethoxy)-trimethylsilane is sourced from PubChem (CID 134997889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).