tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane

C24H48O4Si2 — CID 11568750

IUPACtert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane
SMILESC#C/C(C)=C/[C@H](OCOC)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-15-19(2)16-21(26-18-25-10)22(28-30(13,14)24(7,8)9)17-20(3)27-29(11,12)23(4,5)6/h1,16,20-22H,17-18H2,2-14H3/b19-16+/t20-,21-,22-/m0/s1
InChIKeyTZKPKIRKDGLGSF-IKLGXSEVSA-N
MW456.82 g/mol
LogP6.75
Rot. Bonds11

About tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane (PubChem CID 11568750) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane
PubChem CID11568750
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Nametert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane
SMILESC#C/C(C)=C/[C@H](OCOC)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2/c1-15-19(2)16-21(26-18-25-10)22(28-30(13,14)24(7,8)9)17-20(3)27-29(11,12)23(4,5)6/h1,16,20-22H,17-18H2,2-14H3/b19-16+/t20-,21-,22-/m0/s1
InChIKeyTZKPKIRKDGLGSF-IKLGXSEVSA-N
XLogP6.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11513219
tert-butyl-[(2S,4S,5S,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5-(methoxymethoxy)-7-methylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11621230
[(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11693315
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134836950
(4S,5S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[(E)-2-methylbut-1-enyl]-1,3-dioxolan-2-one
CID 140658608
[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane
CID 162517824
tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-ynoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 10787861
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11080876
[(3aR,4S,5R,7aR)-4-methoxy-2,2-dimethyl-7-(7-methyl-3-methylideneoct-6-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tri(propan-2-yl)silane
CID 72189786
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-(methoxymethoxy)hex-5-ynoxy]-dimethylsilane
CID 73293402
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-trimethylsilyloct-2-en-7-ynyl] ethyl carbonate
CID 102384065
[(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-trimethylsilyloct-2-en-7-ynyl] ethyl carbonate
CID 102384066

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane (CID 11568750) is tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane is C#C/C(C)=C/[C@H](OCOC)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane?
The InChIKey is TZKPKIRKDGLGSF-IKLGXSEVSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-15-19(2)16-21(26-18-25-10)22(28-30(13,14)24(7,8)9)17-20(3)27-29(11,12)23(4,5)6/h1,16,20-22H,17-18H2,2-14H3/b19-16+/t20-,21-,22-/m0/s1.
What are the key properties of tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane has a molecular weight of 456.82 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11568750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).