trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane

C19H18OSi — CID 141327180

IUPACtrimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane
SMILES[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(O[Si](C)(C)C)c4c([2H])c([2H])c(c1[2H])c2c34
InChIInChI=1S/C19H18OSi/c1-21(2,3)20-17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKeyJUPQXMBZFLATDZ-MUWNQKDNSA-N
MW299.49 g/mol
LogP5.80
Rot. Bonds2

About trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane

trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane (PubChem CID 141327180) has the molecular formula C19H18OSi and a molecular weight of 299.49 g/mol. Its IUPAC name is trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane
PubChem CID141327180
Molecular FormulaC19H18OSi
Molecular Weight299.49 g/mol
Exact Mass299.17
IUPAC Nametrimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane
SMILES[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(O[Si](C)(C)C)c4c([2H])c([2H])c(c1[2H])c2c34
InChIInChI=1S/C19H18OSi/c1-21(2,3)20-17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKeyJUPQXMBZFLATDZ-MUWNQKDNSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane?
The IUPAC name of trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane (CID 141327180) is trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane.
What is the SMILES notation for trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane?
The canonical SMILES for trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane is [2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(O[Si](C)(C)C)c4c([2H])c([2H])c(c1[2H])c2c34.
What is the InChIKey of trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane?
The InChIKey is JUPQXMBZFLATDZ-MUWNQKDNSA-N. The full InChI is InChI=1S/C19H18OSi/c1-21(2,3)20-17-12-10-15-8-7-13-5-4-6-14-9-11-16(17)19(15)18(13)14/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D.
What are the key properties of trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane?
trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane has a molecular weight of 299.49 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxysilane is sourced from PubChem (CID 141327180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).