tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane

C16H30O2Si — CID 135045556

IUPACtert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane
SMILESC=C(C)C[C@@H](CC#COCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-17-12-10-11-15(13-14(2)3)18-19(7,8)16(4,5)6/h15H,2,9,11,13H2,1,3-8H3/t15-/m1/s1
InChIKeyIMBVKHIAOMRAOX-OAHLLOKOSA-N
MW282.50 g/mol
LogP4.73
Rot. Bonds6

About tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane (PubChem CID 135045556) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane
PubChem CID135045556
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane
SMILESC=C(C)C[C@@H](CC#COCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-9-17-12-10-11-15(13-14(2)3)18-19(7,8)16(4,5)6/h15H,2,9,11,13H2,1,3-8H3/t15-/m1/s1
InChIKeyIMBVKHIAOMRAOX-OAHLLOKOSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
CID 11265259
[(4S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-1-en-5-yn-4-yl] but-2-ynoate
CID 134834140
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
Tert-butyl-dimethyl-(2-methylhept-1-en-5-yn-4-yloxy)silane
CID 11253419
Tert-butyl-dimethyl-(5-methylhex-5-en-1-yn-3-yloxy)silane
CID 14917700
tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane
CID 25179950
9-[Tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132536879
(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132603328

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane (CID 135045556) is tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane is C=C(C)C[C@@H](CC#COCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane?
The InChIKey is IMBVKHIAOMRAOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-17-12-10-11-15(13-14(2)3)18-19(7,8)16(4,5)6/h15H,2,9,11,13H2,1,3-8H3/t15-/m1/s1.
What are the key properties of tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135045556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).