trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane

C22H42O3Si — CID 23243064

IUPACtrimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane
SMILES[2H]C([2H])(C#CCCCCCCCCOC1CCCCO1)C([2H])([2H])C([2H])([2H])C([2H])([2H])O[Si](C)(C)C
InChIInChI=1S/C22H42O3Si/c1-26(2,3)25-21-16-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-17-20-24-22/h22H,4-6,8,10-21H2,1-3H3/i11D2,13D2,16D2,21D2
InChIKeyNNGLLEDBEJCRHB-ILEVLQBUSA-N
MW390.71 g/mol
LogP6.29
Rot. Bonds14

About trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane

trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane (PubChem CID 23243064) has the molecular formula C22H42O3Si and a molecular weight of 390.71 g/mol. Its IUPAC name is trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane.

Molecular Properties

Compound Nametrimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane
PubChem CID23243064
Molecular FormulaC22H42O3Si
Molecular Weight390.71 g/mol
Exact Mass390.34
IUPAC Nametrimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane
SMILES[2H]C([2H])(C#CCCCCCCCCOC1CCCCO1)C([2H])([2H])C([2H])([2H])C([2H])([2H])O[Si](C)(C)C
InChIInChI=1S/C22H42O3Si/c1-26(2,3)25-21-16-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-17-20-24-22/h22H,4-6,8,10-21H2,1-3H3/i11D2,13D2,16D2,21D2
InChIKeyNNGLLEDBEJCRHB-ILEVLQBUSA-N
XLogP6.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane?
The IUPAC name of trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane (CID 23243064) is trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane.
What is the SMILES notation for trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane?
The canonical SMILES for trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane is [2H]C([2H])(C#CCCCCCCCCOC1CCCCO1)C([2H])([2H])C([2H])([2H])C([2H])([2H])O[Si](C)(C)C.
What is the InChIKey of trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane?
The InChIKey is NNGLLEDBEJCRHB-ILEVLQBUSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-26(2,3)25-21-16-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-17-20-24-22/h22H,4-6,8,10-21H2,1-3H3/i11D2,13D2,16D2,21D2.
What are the key properties of trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane?
trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane has a molecular weight of 390.71 g/mol, XLogP of 6.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,1,2,2,3,3,4,4-octadeuterio-14-(oxan-2-yloxy)tetradec-5-ynoxy]silane is sourced from PubChem (CID 23243064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).