tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane

C20H38OSi — CID 134977729

IUPACtert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
SMILESCCCCCCCC(C#CC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-16-19(17-14-15-18(2)3)21-22(7,8)20(4,5)6/h15,19H,9-13,16H2,1-8H3
InChIKeyXYYUJHZFWYLACJ-UHFFFAOYSA-N
MW322.61 g/mol
LogP6.71
Rot. Bonds8

About tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane

tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane (PubChem CID 134977729) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
PubChem CID134977729
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane
SMILESCCCCCCCC(C#CC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38OSi/c1-9-10-11-12-13-16-19(17-14-15-18(2)3)21-22(7,8)20(4,5)6/h15,19H,9-13,16H2,1-8H3
InChIKeyXYYUJHZFWYLACJ-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
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

tert-butyl-[(4Z)-8-[tert-butyl(dimethyl)silyl]oxycyclododec-4-en-2,6-diyn-1-yl]oxy-dimethylsilane
CID 134977934
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)heptyloxy-
CID 91742534
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)nonyloxy-
CID 91743551
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)undecyloxy-
CID 91744291
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)dodecyloxy-
CID 91744598
Silane, diethyl(2,7-dimethyloct-1-en-3-yn-5-yloxy)pentadecyloxy-
CID 91745276
Ditert-butyl-decoxy-(3-methylbut-2-enyl)silane
CID 101441078
Tert-butyl-hexadec-9-en-7,11-diynoxy-dimethylsilane
CID 90798688
tert-butyl-dimethyl-[(E)-11-methylheptadec-11-en-9-yn-8-yl]oxysilane
CID 10959822
Tert-butyl-dimethyl-(11-methylideneheptadec-9-yn-8-yloxy)silane
CID 11047110
tert-butyl-dimethyl-[(4R)-1-trimethylsilyltetradec-13-en-1-yn-4-yl]oxysilane
CID 11858913
Dimethyl-non-1-yn-3-yloxy-prop-2-enylsilane
CID 101149698

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane (CID 134977729) is tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane is CCCCCCCC(C#CC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane?
The InChIKey is XYYUJHZFWYLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-9-10-11-12-13-16-19(17-14-15-18(2)3)21-22(7,8)20(4,5)6/h15,19H,9-13,16H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane?
tert-butyl-dimethyl-(2-methyltridec-2-en-4-yn-6-yloxy)silane has a molecular weight of 322.61 g/mol, XLogP of 6.71, 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-methyltridec-2-en-4-yn-6-yloxy)silane is sourced from PubChem (CID 134977729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).