[(E)-dodec-7-en-9-ynoxy]-trimethylsilane

C15H28OSi — CID 6436840

IUPAC[(E)-dodec-7-en-9-ynoxy]-trimethylsilane
SMILESCCC#C/C=C/CCCCCCO[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4/h8-9H,5,10-15H2,1-4H3/b9-8+
InChIKeyBSFTXFASOLZMHG-CMDGGOBGSA-N
MW252.47 g/mol
LogP4.76
Rot. Bonds8

About [(E)-dodec-7-en-9-ynoxy]-trimethylsilane

[(E)-dodec-7-en-9-ynoxy]-trimethylsilane (PubChem CID 6436840) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(E)-dodec-7-en-9-ynoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-dodec-7-en-9-ynoxy]-trimethylsilane
PubChem CID6436840
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(E)-dodec-7-en-9-ynoxy]-trimethylsilane
SMILESCCC#C/C=C/CCCCCCO[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4/h8-9H,5,10-15H2,1-4H3/b9-8+
InChIKeyBSFTXFASOLZMHG-CMDGGOBGSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-dodec-7-en-9-ynoxy]-trimethylsilane?
The IUPAC name of [(E)-dodec-7-en-9-ynoxy]-trimethylsilane (CID 6436840) is [(E)-dodec-7-en-9-ynoxy]-trimethylsilane.
What is the SMILES notation for [(E)-dodec-7-en-9-ynoxy]-trimethylsilane?
The canonical SMILES for [(E)-dodec-7-en-9-ynoxy]-trimethylsilane is CCC#C/C=C/CCCCCCO[Si](C)(C)C.
What is the InChIKey of [(E)-dodec-7-en-9-ynoxy]-trimethylsilane?
The InChIKey is BSFTXFASOLZMHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4/h8-9H,5,10-15H2,1-4H3/b9-8+.
What are the key properties of [(E)-dodec-7-en-9-ynoxy]-trimethylsilane?
[(E)-dodec-7-en-9-ynoxy]-trimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-7-en-9-ynoxy]-trimethylsilane is sourced from PubChem (CID 6436840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).