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

C22H38OSi — CID 87614571

IUPACtert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane
SMILESCCCCCC#CC#C/C=C/CCCCCO[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/h15-16H,7-10,17-21H2,1-6H3/b16-15+
InChIKeyFXOIKMSHAMAZEA-FOCLMDBBSA-N
MW346.63 g/mol
LogP6.71
Rot. Bonds10

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

tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane (PubChem CID 87614571) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane
PubChem CID87614571
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane
SMILESCCCCCC#CC#C/C=C/CCCCCO[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/h15-16H,7-10,17-21H2,1-6H3/b16-15+
InChIKeyFXOIKMSHAMAZEA-FOCLMDBBSA-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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Related Compounds

Silane, [(7E)-7-dodecen-9-yn-1-yloxy]trimethyl-
CID 6436840
tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane
CID 134893107
cis-9-hexadecenol, tBDMS
CID 6430272
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
Silane, dimethyl(non-3-enyloxy)hexyloxy-
CID 91730345
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
13c,16c-docosadienol, tBDMS
CID 6430207
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane (CID 87614571) is tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane is CCCCCC#CC#C/C=C/CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane?
The InChIKey is FXOIKMSHAMAZEA-FOCLMDBBSA-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/h15-16H,7-10,17-21H2,1-6H3/b16-15+.
What are the key properties of tert-butyl-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane?
tert-butyl-[(E)-hexadec-6-en-8,10-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-[(E)-hexadec-6-en-8,10-diynoxy]-dimethylsilane is sourced from PubChem (CID 87614571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).