tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane

C25H46O6Si — CID 11070714

IUPACtert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane
SMILESCO[C@H]1C=C[C@H](OC)[C@H](/C(C)=C/[C@H](C)[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]2OC)O1
InChIInChI=1S/C25H46O6Si/c1-16(22-19(26-7)12-13-21(28-9)29-22)14-17(2)23-20(27-8)15-18(3)24(30-23)31-32(10,11)25(4,5)6/h12-14,17-24H,15H2,1-11H3/b16-14+/t17-,18-,19-,20-,21+,22-,23+,24+/m0/s1
InChIKeyXMUJWAKEUCDAMR-LDXUWZLGSA-N
MW470.72 g/mol
LogP5.30
Rot. Bonds8

About tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane (PubChem CID 11070714) has the molecular formula C25H46O6Si and a molecular weight of 470.72 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane
PubChem CID11070714
Molecular FormulaC25H46O6Si
Molecular Weight470.72 g/mol
Exact Mass470.31
IUPAC Nametert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane
SMILESCO[C@H]1C=C[C@H](OC)[C@H](/C(C)=C/[C@H](C)[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]2OC)O1
InChIInChI=1S/C25H46O6Si/c1-16(22-19(26-7)12-13-21(28-9)29-22)14-17(2)23-20(27-8)15-18(3)24(30-23)31-32(10,11)25(4,5)6/h12-14,17-24H,15H2,1-11H3/b16-14+/t17-,18-,19-,20-,21+,22-,23+,24+/m0/s1
InChIKeyXMUJWAKEUCDAMR-LDXUWZLGSA-N
XLogP5.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane (CID 11070714) is tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane is CO[C@H]1C=C[C@H](OC)[C@H](/C(C)=C/[C@H](C)[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H]2OC)O1.
What is the InChIKey of tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane?
The InChIKey is XMUJWAKEUCDAMR-LDXUWZLGSA-N. The full InChI is InChI=1S/C25H46O6Si/c1-16(22-19(26-7)12-13-21(28-9)29-22)14-17(2)23-20(27-8)15-18(3)24(30-23)31-32(10,11)25(4,5)6/h12-14,17-24H,15H2,1-11H3/b16-14+/t17-,18-,19-,20-,21+,22-,23+,24+/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane has a molecular weight of 470.72 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11070714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).