tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane

C22H38OSi — CID 102600480

IUPACtert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane
SMILESC#CCCCCC#CC(CC(C)(C)CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-10-12-13-14-15-16-17-20(19-22(6,7)18-11-2)23-24(8,9)21(3,4)5/h1,11,20H,2,12-15,18-19H2,3-9H3
InChIKeyKYKJYMCSBCAXJB-UHFFFAOYSA-N
MW346.63 g/mol
LogP6.57
Rot. Bonds9

About tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane

tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane (PubChem CID 102600480) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane
PubChem CID102600480
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane
SMILESC#CCCCCC#CC(CC(C)(C)CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-10-12-13-14-15-16-17-20(19-22(6,7)18-11-2)23-24(8,9)21(3,4)5/h1,11,20H,2,12-15,18-19H2,3-9H3
InChIKeyKYKJYMCSBCAXJB-UHFFFAOYSA-N
XLogP6.57
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 ≤ 56.57
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
Tert-butyl-(4,4-dimethylhept-6-en-1-yn-3-yloxy)-dimethylsilane
CID 10944928
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
Tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
tert-butyl-dimethyl-[(2R)-2-prop-2-ynylhex-5-enoxy]silane
CID 16220311
triethyl-[(3S,5S)-2,2,5-trimethyloct-7-en-3-yl]oxysilane
CID 44131621
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 53392206
Tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 101111972
Tert-butyl-(4,4-dimethyl-1-trimethylgermylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 102240613
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane (CID 102600480) is tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane is C#CCCCCC#CC(CC(C)(C)CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane?
The InChIKey is KYKJYMCSBCAXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi/c1-10-12-13-14-15-16-17-20(19-22(6,7)18-11-2)23-24(8,9)21(3,4)5/h1,11,20H,2,12-15,18-19H2,3-9H3.
What are the key properties of tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane?
tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane is sourced from PubChem (CID 102600480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).