tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane

C28H55IO4Si2 — CID 11456434

IUPACtert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@@](C[C@H](CCCI)O[Si](C)(C)C(C)(C)C)(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C
InChIInChI=1S/C28H55IO4Si2/c1-14-17-24-23(15-2)25(33-35(12,13)27(6,7)8)21-28(30-9,31-24)20-22(18-16-19-29)32-34(10,11)26(3,4)5/h14-15,22-25H,1-2,16-21H2,3-13H3/t22-,23-,24-,25-,28+/m0/s1
InChIKeyMXIKLVZJMQWNAC-TVEWEYLFSA-N
MW638.82 g/mol
LogP8.88
Rot. Bonds13

About tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane (PubChem CID 11456434) has the molecular formula C28H55IO4Si2 and a molecular weight of 638.82 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane
PubChem CID11456434
Molecular FormulaC28H55IO4Si2
Molecular Weight638.82 g/mol
Exact Mass638.27
IUPAC Nametert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1O[C@@](C[C@H](CCCI)O[Si](C)(C)C(C)(C)C)(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C
InChIInChI=1S/C28H55IO4Si2/c1-14-17-24-23(15-2)25(33-35(12,13)27(6,7)8)21-28(30-9,31-24)20-22(18-16-19-29)32-34(10,11)26(3,4)5/h14-15,22-25H,1-2,16-21H2,3-13H3/t22-,23-,24-,25-,28+/m0/s1
InChIKeyMXIKLVZJMQWNAC-TVEWEYLFSA-N
XLogP8.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.82
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane (CID 11456434) is tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane is C=CC[C@@H]1O[C@@](C[C@H](CCCI)O[Si](C)(C)C(C)(C)C)(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C.
What is the InChIKey of tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane?
The InChIKey is MXIKLVZJMQWNAC-TVEWEYLFSA-N. The full InChI is InChI=1S/C28H55IO4Si2/c1-14-17-24-23(15-2)25(33-35(12,13)27(6,7)8)21-28(30-9,31-24)20-22(18-16-19-29)32-34(10,11)26(3,4)5/h14-15,22-25H,1-2,16-21H2,3-13H3/t22-,23-,24-,25-,28+/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane has a molecular weight of 638.82 g/mol, XLogP of 8.88, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2-methoxy-6-prop-2-enyloxan-2-yl]-5-iodopentan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11456434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).