trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane

C21H36O2Si — CID 134977541

IUPACtrimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane
SMILESC[Si](C)(C)C#CCC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H36O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-7,9,11-15,17-19H2,1-3H3
InChIKeyBSXKLBURBLLCAT-UHFFFAOYSA-N
MW348.60 g/mol
LogP5.53
Rot. Bonds9

About trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane

trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane (PubChem CID 134977541) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane
PubChem CID134977541
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Nametrimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane
SMILESC[Si](C)(C)C#CCC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H36O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-7,9,11-15,17-19H2,1-3H3
InChIKeyBSXKLBURBLLCAT-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane?
The IUPAC name of trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane (CID 134977541) is trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane.
What is the SMILES notation for trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane?
The canonical SMILES for trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane is C[Si](C)(C)C#CCC#CCCCCCCCCOC1CCCCO1.
What is the InChIKey of trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane?
The InChIKey is BSXKLBURBLLCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-24(2,3)20-16-12-10-8-6-4-5-7-9-11-14-18-22-21-17-13-15-19-23-21/h21H,4-7,9,11-15,17-19H2,1-3H3.
What are the key properties of trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane?
trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane has a molecular weight of 348.60 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[13-(oxan-2-yloxy)trideca-1,4-diynyl]silane is sourced from PubChem (CID 134977541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).