tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane

C22H38OSi — CID 87614435

IUPACtert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane
SMILESCCCCC/C=C\C#CC#CCCCCCO[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/h11-12H,7-10,17-21H2,1-6H3/b12-11-
InChIKeyFIAUZWJQPIFRAC-QXMHVHEDSA-N
MW346.63 g/mol
LogP6.71
Rot. Bonds10

About tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane

tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane (PubChem CID 87614435) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane
PubChem CID87614435
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane
SMILESCCCCC/C=C\C#CC#CCCCCCO[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/h11-12H,7-10,17-21H2,1-6H3/b12-11-
InChIKeyFIAUZWJQPIFRAC-QXMHVHEDSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane (CID 87614435) is tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane is CCCCC/C=C\C#CC#CCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane?
The InChIKey is FIAUZWJQPIFRAC-QXMHVHEDSA-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/h11-12H,7-10,17-21H2,1-6H3/b12-11-.
What are the key properties of tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane?
tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-hexadec-10-en-6,8-diynoxy]-dimethylsilane is sourced from PubChem (CID 87614435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).