tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane

C23H44O2Si — CID 134978274

IUPACtert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane
SMILESCC(CCCCCCC#CCC[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C23H44O2Si/c1-21(25-22-18-14-15-19-24-22)17-13-11-9-7-8-10-12-16-20-26(5,6)23(2,3)4/h21-22H,7-9,11,13-20H2,1-6H3
InChIKeyJPLHFCAJOOFQNP-UHFFFAOYSA-N
MW380.69 g/mol
LogP7.16
Rot. Bonds10

About tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane

tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane (PubChem CID 134978274) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane
PubChem CID134978274
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Nametert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane
SMILESCC(CCCCCCC#CCC[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C23H44O2Si/c1-21(25-22-18-14-15-19-24-22)17-13-11-9-7-8-10-12-16-20-26(5,6)23(2,3)4/h21-22H,7-9,11,13-20H2,1-6H3
InChIKeyJPLHFCAJOOFQNP-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.16
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 tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane (CID 134978274) is tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane is CC(CCCCCCC#CCC[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane?
The InChIKey is JPLHFCAJOOFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-21(25-22-18-14-15-19-24-22)17-13-11-9-7-8-10-12-16-20-26(5,6)23(2,3)4/h21-22H,7-9,11,13-20H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane?
tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane has a molecular weight of 380.69 g/mol, XLogP of 7.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[11-(oxan-2-yloxy)dodec-3-ynyl]silane is sourced from PubChem (CID 134978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).