(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane

C14H19NOSi — CID 59658168

IUPAC(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-15-14(16-17(2,3)4)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,7,9,11H2,2-4H3
InChIKeyCRJZNCSBUSHMPZ-UHFFFAOYSA-N
MW245.40 g/mol
LogP3.95
Rot. Bonds2

About (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane

(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane (PubChem CID 59658168) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
PubChem CID59658168
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCCc2ccccc21
InChIInChI=1S/C14H19NOSi/c1-15-14(16-17(2,3)4)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,7,9,11H2,2-4H3
InChIKeyCRJZNCSBUSHMPZ-UHFFFAOYSA-N
XLogP3.95
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.95
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-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The IUPAC name of (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane (CID 59658168) is (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane is [C-]#[N+]C1(O[Si](C)(C)C)CCCc2ccccc21.
What is the InChIKey of (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The InChIKey is CRJZNCSBUSHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-15-14(16-17(2,3)4)11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10H,7,9,11H2,2-4H3.
What are the key properties of (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane has a molecular weight of 245.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 59658168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).