tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane

C22H38OSi — CID 102600478

IUPACtert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
SMILESC#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C22H38OSi/c1-11-12-13-14-15-16-17-20(22(7,8)18-19(2)3)23-24(9,10)21(4,5)6/h1,20H,2,12-15,18H2,3-10H3
InChIKeyHZTOKJNGDJJCJV-UHFFFAOYSA-N
MW346.63 g/mol
LogP6.57
Rot. Bonds8

About tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane

tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane (PubChem CID 102600478) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
PubChem CID102600478
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
SMILESC#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C
InChIInChI=1S/C22H38OSi/c1-11-12-13-14-15-16-17-20(22(7,8)18-19(2)3)23-24(9,10)21(4,5)6/h1,20H,2,12-15,18H2,3-10H3
InChIKeyHZTOKJNGDJJCJV-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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'}

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Related Compounds

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 53392206
Tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
CID 101400084
Tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 101400086
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
2,6-Dimethyl-5-tributylsilyloxynon-1-en-3-yne
CID 531339
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 58420717

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane (CID 102600478) is tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane is C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C.
What is the InChIKey of tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane?
The InChIKey is HZTOKJNGDJJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38OSi/c1-11-12-13-14-15-16-17-20(22(7,8)18-19(2)3)23-24(9,10)21(4,5)6/h1,20H,2,12-15,18H2,3-10H3.
What are the key properties of tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane?
tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane has a molecular weight of 346.63 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane is sourced from PubChem (CID 102600478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).