tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane

C22H38OSi — CID 90798688

IUPACtert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
SMILESCCCCC#CC=CC#CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-9,16-21H2,1-6H3
InChIKeyVKNNGJVOOMRSLB-UHFFFAOYSA-N
MW346.63 g/mol
LogP6.71
Rot. Bonds9

About tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane

tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane (PubChem CID 90798688) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
PubChem CID90798688
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
SMILESCCCCC#CC=CC#CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-9,16-21H2,1-6H3
InChIKeyVKNNGJVOOMRSLB-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.71
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 tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane?
The IUPAC name of tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane (CID 90798688) is tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane?
The canonical SMILES for tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane is CCCCC#CC=CC#CCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane?
The InChIKey is VKNNGJVOOMRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h12-13H,7-9,16-21H2,1-6H3.
What are the key properties of tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane?
tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane is sourced from PubChem (CID 90798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).