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

C17H18OSi — CID 141327183

IUPACtrimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O[Si](C)(C)C)c([2H])c([2H])c12
InChIInChI=1S/C17H18OSi/c1-19(2,3)18-15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKeyCEBCRKKWVZOOQB-MUWNQKDNSA-N
MW275.47 g/mol
LogP5.21
Rot. Bonds2

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

trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane (PubChem CID 141327183) has the molecular formula C17H18OSi and a molecular weight of 275.47 g/mol. Its IUPAC name is trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane
PubChem CID141327183
Molecular FormulaC17H18OSi
Molecular Weight275.47 g/mol
Exact Mass275.17
IUPAC Nametrimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O[Si](C)(C)C)c([2H])c([2H])c12
InChIInChI=1S/C17H18OSi/c1-19(2,3)18-15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKeyCEBCRKKWVZOOQB-MUWNQKDNSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.47
LogP ≤ 55.21
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-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane (CID 141327183) is trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane is [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c1c([2H])c(O[Si](C)(C)C)c([2H])c([2H])c12.
What is the InChIKey of trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane?
The InChIKey is CEBCRKKWVZOOQB-MUWNQKDNSA-N. The full InChI is InChI=1S/C17H18OSi/c1-19(2,3)18-15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17/h4-12H,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D.
What are the key properties of trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane?
trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane has a molecular weight of 275.47 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)oxysilane is sourced from PubChem (CID 141327183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).