[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane

C31H64O5Si3 — CID 10054323

IUPAC[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H64O5Si3/c1-19-20-25(35-38(15,16)29(5,6)7)26(36-39(17,18)30(8,9)10)22-21-24-27(34-31(11,12)33-24)23-32-37(13,14)28(2,3)4/h19-22,24-27H,23H2,1-18H3/b20-19+,22-21+/t24-,25-,26-,27-/m0/s1
InChIKeyLOHMGXKDJGNWDG-HKELHPCSSA-N
MW601.11 g/mol
LogP9.44
Rot. Bonds11

About [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane

[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10054323) has the molecular formula C31H64O5Si3 and a molecular weight of 601.11 g/mol. Its IUPAC name is [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10054323
Molecular FormulaC31H64O5Si3
Molecular Weight601.11 g/mol
Exact Mass600.41
IUPAC Name[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H64O5Si3/c1-19-20-25(35-38(15,16)29(5,6)7)26(36-39(17,18)30(8,9)10)22-21-24-27(34-31(11,12)33-24)23-32-37(13,14)28(2,3)4/h19-22,24-27H,23H2,1-18H3/b20-19+,22-21+/t24-,25-,26-,27-/m0/s1
InChIKeyLOHMGXKDJGNWDG-HKELHPCSSA-N
XLogP9.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.11
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
CID 15605685
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (CID 10054323) is [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is LOHMGXKDJGNWDG-HKELHPCSSA-N. The full InChI is InChI=1S/C31H64O5Si3/c1-19-20-25(35-38(15,16)29(5,6)7)26(36-39(17,18)30(8,9)10)22-21-24-27(34-31(11,12)33-24)23-32-37(13,14)28(2,3)4/h19-22,24-27H,23H2,1-18H3/b20-19+,22-21+/t24-,25-,26-,27-/m0/s1.
What are the key properties of [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 601.11 g/mol, XLogP of 9.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10054323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).