[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane

C21H44O2Si — CID 91736539

IUPAC[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-5-7-9-11-12-13-14-15-17-19-21-23-24(3,4)22-20-18-16-10-8-6-2/h17,19H,5-16,18,20-21H2,1-4H3/b19-17+
InChIKeyDWHBDGLOMKOMGC-HTXNQAPBSA-N
MW356.67 g/mol
LogP7.39
Rot. Bonds18

About [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane

[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane (PubChem CID 91736539) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane
PubChem CID91736539
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane
SMILESCCCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCC
InChIInChI=1S/C21H44O2Si/c1-5-7-9-11-12-13-14-15-17-19-21-23-24(3,4)22-20-18-16-10-8-6-2/h17,19H,5-16,18,20-21H2,1-4H3/b19-17+
InChIKeyDWHBDGLOMKOMGC-HTXNQAPBSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.39
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Triethylsilyloxyundec-10-ene
CID 568575
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
Tetrakis(octadec-9-enyl) silicate
CID 90724700
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
1-Tripropylsilyloxyundec-2-ene
CID 5353193
1-Trihexylsilyloxyundec-2-ene
CID 5353196

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane?
The IUPAC name of [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane (CID 91736539) is [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane.
What is the SMILES notation for [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane?
The canonical SMILES for [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane is CCCCCCCCC/C=C/CO[Si](C)(C)OCCCCCCC.
What is the InChIKey of [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane?
The InChIKey is DWHBDGLOMKOMGC-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-5-7-9-11-12-13-14-15-17-19-21-23-24(3,4)22-20-18-16-10-8-6-2/h17,19H,5-16,18,20-21H2,1-4H3/b19-17+.
What are the key properties of [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane?
[(E)-dodec-2-enoxy]-heptoxy-dimethylsilane has a molecular weight of 356.67 g/mol, XLogP of 7.39, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enoxy]-heptoxy-dimethylsilane is sourced from PubChem (CID 91736539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).