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

C14H18BrNOSi — CID 123925374

IUPAC(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNOSi/c1-16-14(17-18(2,3)4)9-5-6-11-10-12(15)7-8-13(11)14/h7-8,10H,5-6,9H2,2-4H3
InChIKeyLNYWTQFVTDRXBY-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds2

About (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane

(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane (PubChem CID 123925374) has the molecular formula C14H18BrNOSi and a molecular weight of 324.29 g/mol. Its IUPAC name is (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
PubChem CID123925374
Molecular FormulaC14H18BrNOSi
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNOSi/c1-16-14(17-18(2,3)4)9-5-6-11-10-12(15)7-8-13(11)14/h7-8,10H,5-6,9H2,2-4H3
InChIKeyLNYWTQFVTDRXBY-UHFFFAOYSA-N
XLogP4.71
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.71
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

(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
CID 59658168
[1-(4-Bromophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134997176
7-Bromo-1,2,3,4-tetrahydro-1-[(trimethylsilyl)oxy]-1-naphthalenecarbonitrile
CID 58951656
6-Bromo-1-((trimethylsilyl)oxy)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 90298544
(5-Bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 156672580

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The IUPAC name of (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane (CID 123925374) is (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane is [C-]#[N+]C1(O[Si](C)(C)C)CCCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
The InChIKey is LNYWTQFVTDRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOSi/c1-16-14(17-18(2,3)4)9-5-6-11-10-12(15)7-8-13(11)14/h7-8,10H,5-6,9H2,2-4H3.
What are the key properties of (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane?
(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane has a molecular weight of 324.29 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 123925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).