triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane

C41H89IO6Si5 — CID 140867310

IUPACtriethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane
SMILESCC[Si](CC)(CC)OCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H89IO6Si5/c1-24-53(25-2,26-3)43-31-27-28-32-35(46-50(18,19)39(7,8)9)37(48-52(22,23)41(13,14)15)36(47-51(20,21)40(10,11)12)34(44-32)33(29-30-42)45-49(16,17)38(4,5)6/h29-30,32-37H,24-28,31H2,1-23H3/b30-29+/t32-,33-,34-,35-,36+,37-/m0/s1
InChIKeyUDZPPHXDPUJMBJ-VVFARNGTSA-N
MW945.49 g/mol
LogP14.07
Rot. Bonds18

About triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane

triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane (PubChem CID 140867310) has the molecular formula C41H89IO6Si5 and a molecular weight of 945.49 g/mol. Its IUPAC name is triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane.

Molecular Properties

Compound Nametriethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane
PubChem CID140867310
Molecular FormulaC41H89IO6Si5
Molecular Weight945.49 g/mol
Exact Mass944.46
IUPAC Nametriethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane
SMILESCC[Si](CC)(CC)OCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H89IO6Si5/c1-24-53(25-2,26-3)43-31-27-28-32-35(46-50(18,19)39(7,8)9)37(48-52(22,23)41(13,14)15)36(47-51(20,21)40(10,11)12)34(44-32)33(29-30-42)45-49(16,17)38(4,5)6/h29-30,32-37H,24-28,31H2,1-23H3/b30-29+/t32-,33-,34-,35-,36+,37-/m0/s1
InChIKeyUDZPPHXDPUJMBJ-VVFARNGTSA-N
XLogP14.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.49
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane?
The IUPAC name of triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane (CID 140867310) is triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane.
What is the SMILES notation for triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane?
The canonical SMILES for triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane is CC[Si](CC)(CC)OCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane?
The InChIKey is UDZPPHXDPUJMBJ-VVFARNGTSA-N. The full InChI is InChI=1S/C41H89IO6Si5/c1-24-53(25-2,26-3)43-31-27-28-32-35(46-50(18,19)39(7,8)9)37(48-52(22,23)41(13,14)15)36(47-51(20,21)40(10,11)12)34(44-32)33(29-30-42)45-49(16,17)38(4,5)6/h29-30,32-37H,24-28,31H2,1-23H3/b30-29+/t32-,33-,34-,35-,36+,37-/m0/s1.
What are the key properties of triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane?
triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane has a molecular weight of 945.49 g/mol, XLogP of 14.07, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[(2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]oxan-2-yl]propoxy]silane is sourced from PubChem (CID 140867310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).