tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane

C15H28OSi — CID 102323745

IUPACtert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane
SMILESC#CC(CC(=C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-10-14(11-13(4)12(2)3)16-17(8,9)15(5,6)7/h1,12,14H,4,11H2,2-3,5-9H3
InChIKeyOTZBFNDHWPKMIG-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane

tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane (PubChem CID 102323745) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane
PubChem CID102323745
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane
SMILESC#CC(CC(=C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-10-14(11-13(4)12(2)3)16-17(8,9)15(5,6)7/h1,12,14H,4,11H2,2-3,5-9H3
InChIKeyOTZBFNDHWPKMIG-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
5-Diisopropylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 6327734
triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
CID 11265259
tert-butyl-dimethyl-[(2R)-2-prop-2-ynylhex-5-enoxy]silane
CID 16220311
Tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 101400086
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
CID 134967066
(5R)-5-(Tert-butyldimethylsiloxy)-2-methyl-1-octen-7-yne
CID 101618195
(3S,6R)-6-(Tert-butyldimethylsiloxy)-3-methylnonen-8-yne
CID 101618203
5-Methylene-4-triethylsilyloxy-1-octyne
CID 12786182
Trimethyl(6-methyloct-1-en-7-yn-4-yloxy)silane
CID 57260359
6-Ethyloct-1-en-7-yn-4-yloxy(trimethyl)silane
CID 57308788

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane (CID 102323745) is tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane is C#CC(CC(=C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane?
The InChIKey is OTZBFNDHWPKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-10-14(11-13(4)12(2)3)16-17(8,9)15(5,6)7/h1,12,14H,4,11H2,2-3,5-9H3.
What are the key properties of tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane?
tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane is sourced from PubChem (CID 102323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).