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

C13H17NOSi — CID 58082217

IUPAC(1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCc2ccccc21
InChIInChI=1S/C13H17NOSi/c1-14-13(15-16(2,3)4)10-9-11-7-5-6-8-12(11)13/h5-8H,9-10H2,2-4H3
InChIKeyTUUQFEJHOPWLNM-UHFFFAOYSA-N
MW231.37 g/mol
LogP3.56
Rot. Bonds2

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

(1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane (PubChem CID 58082217) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
PubChem CID58082217
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC Name(1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
SMILES[C-]#[N+]C1(O[Si](C)(C)C)CCc2ccccc21
InChIInChI=1S/C13H17NOSi/c1-14-13(15-16(2,3)4)10-9-11-7-5-6-8-12(11)13/h5-8H,9-10H2,2-4H3
InChIKeyTUUQFEJHOPWLNM-UHFFFAOYSA-N
XLogP3.56
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 53.56
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-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
(1-Isocyano-1-phenylpropoxy)-trimethylsilane
CID 134996939
(1-Isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
CID 134996943
[1-Isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane
CID 134997060
(1-Isocyano-1-phenylethoxy)-trimethylsilane
CID 134997174
1-(Dimethylamino)-2,3-dihydroinden-1-ol
CID 19357616
Diethyl (1-isocyano-2,3-dihydroinden-1-yl) phosphate
CID 57679182
(2-Isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
CID 57690272
(1R)-1-(dimethylamino)-2,3-dihydroinden-1-ol
CID 70267416
Ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
CID 91247385
(5-Bromo-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 156672580

Frequently Asked Questions

What is the IUPAC name of (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The IUPAC name of (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane (CID 58082217) is (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The canonical SMILES for (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane is [C-]#[N+]C1(O[Si](C)(C)C)CCc2ccccc21.
What is the InChIKey of (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
The InChIKey is TUUQFEJHOPWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-14-13(15-16(2,3)4)10-9-11-7-5-6-8-12(11)13/h5-8H,9-10H2,2-4H3.
What are the key properties of (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane?
(1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane has a molecular weight of 231.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 58082217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).