tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane

C17H32OSi — CID 10850377

IUPACtert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane
SMILESC=CCC(CC#CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-10-11-12-14-16(13-9-2)15-18-19(6,7)17(3,4)5/h9,16H,2,8,10,13-15H2,1,3-7H3
InChIKeyLQYUEDBUIVQOJR-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds7

About tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane

tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane (PubChem CID 10850377) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane
PubChem CID10850377
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane
SMILESC=CCC(CC#CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-10-11-12-14-16(13-9-2)15-18-19(6,7)17(3,4)5/h9,16H,2,8,10,13-15H2,1,3-7H3
InChIKeyLQYUEDBUIVQOJR-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
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

tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
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
Tert-butyl-dimethyl-oct-7-en-2-ynoxysilane
CID 86018787
Tert-butyl-(4,4-dimethyl-1-trimethylgermylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 102240613
tert-butyl-[(2R)-2-ethylpent-4-enoxy]-dimethylsilane
CID 134856173
2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
CID 134887198
tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
CID 134966558
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
Hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane
CID 135073752

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane (CID 10850377) is tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane is C=CCC(CC#CCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane?
The InChIKey is LQYUEDBUIVQOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-10-11-12-14-16(13-9-2)15-18-19(6,7)17(3,4)5/h9,16H,2,8,10,13-15H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane?
tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-prop-2-enyloct-4-ynoxy)silane is sourced from PubChem (CID 10850377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).