dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane

C20H40O2Si — CID 91698392

IUPACdodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C20H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h20H,6,9-19H2,1-5H3
InChIKeyLMGHULPBHGRIDJ-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.30
Rot. Bonds14

About dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane

dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698392) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Namedodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91698392
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Namedodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCC#CCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C20H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h20H,6,9-19H2,1-5H3
InChIKeyLMGHULPBHGRIDJ-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.30
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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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
1,7-Di(dodec-9-ynyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7-tetraoxa-2,4,6-trisilaheptane
CID 91704494
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)dodecyloxy-
CID 91721100
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)pentyloxy-
CID 91721104
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)heptyloxy-
CID 91721107
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)octyloxy-
CID 91721109
Silane, dimethyl(dimethyl(2-methylbutoxy)silyloxy)heptyloxy-
CID 91721110
Silane, dimethyl(dimethyl(2-methylbutoxy)silyloxy)dodecyloxy-
CID 91721111
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)propoxy-
CID 91721143

Frequently Asked Questions

What is the IUPAC name of dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane (CID 91698392) is dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane is CCC#CCCCCCCCCO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is LMGHULPBHGRIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-6-7-8-9-10-11-12-13-14-15-18-21-23(4,5)22-19-16-17-20(2)3/h20H,6,9-19H2,1-5H3.
What are the key properties of dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane?
dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 340.62 g/mol, XLogP of 6.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-9-ynoxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).