dodec-9-ynoxy-dimethyl-tridecoxysilane

C27H54O2Si — CID 91736071

IUPACdodec-9-ynoxy-dimethyl-tridecoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C27H54O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-30(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-27H2,1-4H3
InChIKeyQGIMYRSYGZWGHR-UHFFFAOYSA-N
MW438.81 g/mol
LogP9.18
Rot. Bonds22

About dodec-9-ynoxy-dimethyl-tridecoxysilane

dodec-9-ynoxy-dimethyl-tridecoxysilane (PubChem CID 91736071) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is dodec-9-ynoxy-dimethyl-tridecoxysilane.

Molecular Properties

Compound Namedodec-9-ynoxy-dimethyl-tridecoxysilane
PubChem CID91736071
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Namedodec-9-ynoxy-dimethyl-tridecoxysilane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCCC
InChIInChI=1S/C27H54O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-30(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-27H2,1-4H3
InChIKeyQGIMYRSYGZWGHR-UHFFFAOYSA-N
XLogP9.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 59.18
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'}

Analyze dodec-9-ynoxy-dimethyl-tridecoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Stearoxytrimethylsilane
CID 87778
Silane, dimethylbis(octadecyloxy)-
CID 120117
(Dodecyloxy)trimethylsilane
CID 22587
(Hexadecyloxy)trimethylsilane
CID 22588
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
1-Trimethylsilyloxytetradecane
CID 522031
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-dimethyl-tridecoxysilane?
The IUPAC name of dodec-9-ynoxy-dimethyl-tridecoxysilane (CID 91736071) is dodec-9-ynoxy-dimethyl-tridecoxysilane.
What is the SMILES notation for dodec-9-ynoxy-dimethyl-tridecoxysilane?
The canonical SMILES for dodec-9-ynoxy-dimethyl-tridecoxysilane is CCC#CCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCCC.
What is the InChIKey of dodec-9-ynoxy-dimethyl-tridecoxysilane?
The InChIKey is QGIMYRSYGZWGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-30(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-7,9,11-27H2,1-4H3.
What are the key properties of dodec-9-ynoxy-dimethyl-tridecoxysilane?
dodec-9-ynoxy-dimethyl-tridecoxysilane has a molecular weight of 438.81 g/mol, XLogP of 9.18, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-dimethyl-tridecoxysilane is sourced from PubChem (CID 91736071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).