[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane

C22H46O3Si2 — CID 11058771

IUPAC[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane
SMILESC=CCCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-13-15-17-23-20(18-24-26(9,10)21(3,4)5)19(16-14-2)25-27(11,12)22(6,7)8/h13-14,19-20H,1-2,15-18H2,3-12H3/t19-,20-/m0/s1
InChIKeyIYBMKFVOPLYHKZ-PMACEKPBSA-N
MW414.78 g/mol
LogP6.94
Rot. Bonds12

About [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane

[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11058771) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane
PubChem CID11058771
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Name[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane
SMILESC=CCCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-13-15-17-23-20(18-24-26(9,10)21(3,4)5)19(16-14-2)25-27(11,12)22(6,7)8/h13-14,19-20H,1-2,15-18H2,3-12H3/t19-,20-/m0/s1
InChIKeyIYBMKFVOPLYHKZ-PMACEKPBSA-N
XLogP6.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11164225
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
3-Ethenoxyhex-5-enoxy-tri(propan-2-yl)silane
CID 11623558
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917
tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane (CID 11058771) is [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane is C=CCCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is IYBMKFVOPLYHKZ-PMACEKPBSA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-13-15-17-23-20(18-24-26(9,10)21(3,4)5)19(16-14-2)25-27(11,12)22(6,7)8/h13-14,19-20H,1-2,15-18H2,3-12H3/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane?
[(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 414.78 g/mol, XLogP of 6.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-but-3-enoxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11058771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).