(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide

C22H43NO2Si2 — CID 56641975

IUPAC(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide
SMILESC[C@@H](/C=C/[C@H](C)[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C22H43NO2Si2/c1-18(17-21(24)23(6)7)13-14-19(2)20(15-16-26(8,9)10)25-27(11,12)22(3,4)5/h13-14,18-20H,17H2,1-12H3/b14-13+/t18-,19-,20-/m0/s1
InChIKeyAJINIKNWNZHYGU-RKJGVCGYSA-N
MW409.76 g/mol
LogP5.56
Rot. Bonds7

About (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide

(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide (PubChem CID 56641975) has the molecular formula C22H43NO2Si2 and a molecular weight of 409.76 g/mol. Its IUPAC name is (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide.

Molecular Properties

Compound Name(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide
PubChem CID56641975
Molecular FormulaC22H43NO2Si2
Molecular Weight409.76 g/mol
Exact Mass409.28
IUPAC Name(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide
SMILESC[C@@H](/C=C/[C@H](C)[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)CC(=O)N(C)C
InChIInChI=1S/C22H43NO2Si2/c1-18(17-21(24)23(6)7)13-14-19(2)20(15-16-26(8,9)10)25-27(11,12)22(3,4)5/h13-14,18-20H,17H2,1-12H3/b14-13+/t18-,19-,20-/m0/s1
InChIKeyAJINIKNWNZHYGU-RKJGVCGYSA-N
XLogP5.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.76
LogP ≤ 55.56
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

[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
CID 11628015
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980521
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-yl] acetate
CID 101168220
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
CID 10837963

Frequently Asked Questions

What is the IUPAC name of (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide?
The IUPAC name of (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide (CID 56641975) is (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide.
What is the SMILES notation for (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide?
The canonical SMILES for (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide is C[C@@H](/C=C/[C@H](C)[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)CC(=O)N(C)C.
What is the InChIKey of (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide?
The InChIKey is AJINIKNWNZHYGU-RKJGVCGYSA-N. The full InChI is InChI=1S/C22H43NO2Si2/c1-18(17-21(24)23(6)7)13-14-19(2)20(15-16-26(8,9)10)25-27(11,12)22(3,4)5/h13-14,18-20H,17H2,1-12H3/b14-13+/t18-,19-,20-/m0/s1.
What are the key properties of (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide?
(E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide has a molecular weight of 409.76 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-N,N,3,6-tetramethyl-9-trimethylsilylnon-4-en-8-ynamide is sourced from PubChem (CID 56641975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).