tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane

C15H30OSi — CID 22177387

IUPACtert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C/C=C\CCCCC1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-12-10-8-6-7-9-11-13-14/h8,10,14H,6-7,9,11-13H2,1-5H3/b10-8-
InChIKeyPOMNNOUUTGKMQL-NTMALXAHSA-N
MW254.49 g/mol
LogP5.29
Rot. Bonds2

About tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane (PubChem CID 22177387) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane
PubChem CID22177387
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C/C=C\CCCCC1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-12-10-8-6-7-9-11-13-14/h8,10,14H,6-7,9,11-13H2,1-5H3/b10-8-
InChIKeyPOMNNOUUTGKMQL-NTMALXAHSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane (CID 22177387) is tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C/C=C\CCCCC1.
What is the InChIKey of tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is POMNNOUUTGKMQL-NTMALXAHSA-N. The full InChI is InChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-12-10-8-6-7-9-11-13-14/h8,10,14H,6-7,9,11-13H2,1-5H3/b10-8-.
What are the key properties of tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3Z)-cyclonon-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 22177387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).