(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane

C13H16BrNOSi — CID 156672580

IUPAC(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNOSi/c1-15-13(16-17(2,3)4)8-7-10-9-11(14)5-6-12(10)13/h5-6,9H,7-8H2,2-4H3
InChIKeyFEKIZGKMFLNHQN-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.32
Rot. Bonds2

About (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane

(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane (PubChem CID 156672580) has the molecular formula C13H16BrNOSi and a molecular weight of 310.27 g/mol. Its IUPAC name is (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
PubChem CID156672580
Molecular FormulaC13H16BrNOSi
Molecular Weight310.27 g/mol
Exact Mass309.02
IUPAC Name(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNOSi/c1-15-13(16-17(2,3)4)8-7-10-9-11(14)5-6-12(10)13/h5-6,9H,7-8H2,2-4H3
InChIKeyFEKIZGKMFLNHQN-UHFFFAOYSA-N
XLogP4.32
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.32
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-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 58082217
(5-Bromo-4-fluoro-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 164706882
(5-Bromo-7-fluoro-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 164706932
(1R)-5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 124635320
[1-(4-Bromophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134997176
5-Bromo-1-((trimethylsilyl)oxy)-2,3-dihydro-1H-indene-1-carbonitrile
CID 57493914
(6-bromo-1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
CID 123925374
1-Amino-5-bromo-2,3-dihydroinden-1-ol
CID 178621571
(1S)-5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 124635321

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The IUPAC name of (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane (CID 156672580) is (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The canonical SMILES for (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane is [C-]#[N+]C1(O[Si](C)(C)C)CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The InChIKey is FEKIZGKMFLNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOSi/c1-15-13(16-17(2,3)4)8-7-10-9-11(14)5-6-12(10)13/h5-6,9H,7-8H2,2-4H3.
What are the key properties of (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
(5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane has a molecular weight of 310.27 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 156672580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).