tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane

C20H38O2Si — CID 56590590

IUPACtert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@H](C)C/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-12-15(2)13-16(3)14-17(4)19(21-9)18(5)22-23(10,11)20(6,7)8/h1,14-15,17-19H,13H2,2-11H3/b16-14+/t15-,17+,18-,19-/m1/s1
InChIKeyVVWDIJSEAZSOKI-MOZYVRLKSA-N
MW338.61 g/mol
LogP5.65
Rot. Bonds8

About tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane (PubChem CID 56590590) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
PubChem CID56590590
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@H](C)C/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-12-15(2)13-16(3)14-17(4)19(21-9)18(5)22-23(10,11)20(6,7)8/h1,14-15,17-19H,13H2,2-11H3/b16-14+/t15-,17+,18-,19-/m1/s1
InChIKeyVVWDIJSEAZSOKI-MOZYVRLKSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.65
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

tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
tert-butyl-[(2S,3R)-3-ethynyl-6-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 134967775
tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane
CID 58139588
tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane
CID 89291365
triethyl-[(Z,4S,5R)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609871
triethyl-[(Z,4R,5S)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609873
triethyl-[(E,4S,5R)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609876
tri(propan-2-yl)-[(3E,5R,6R,7E,9S)-3,5,7,9-tetramethylundeca-3,7-dien-1-yn-6-yl]oxysilane
CID 10619575
tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane
CID 10895785
tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
CID 11119907
[(E,5R,6R,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-3-en-1-ynyl]-trimethylsilane
CID 11123708
tert-butyl-[(E,2R,3R,4S)-7-iodo-3-methoxy-4,6-dimethylhept-5-en-2-yl]oxy-dimethylsilane
CID 50993097

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane (CID 56590590) is tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane is C#C[C@@H](C)C/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane?
The InChIKey is VVWDIJSEAZSOKI-MOZYVRLKSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-12-15(2)13-16(3)14-17(4)19(21-9)18(5)22-23(10,11)20(6,7)8/h1,14-15,17-19H,13H2,2-11H3/b16-14+/t15-,17+,18-,19-/m1/s1.
What are the key properties of tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 56590590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).