tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane

C27H48O4Si2 — CID 11005509

IUPACtert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane
SMILESC=C(c1ccccc1)[C@H]1O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H48O4Si2/c1-19(21-17-15-14-16-18-21)22-25(31-33(12,13)27(6,7)8)24(28-9)23(20(2)29-22)30-32(10,11)26(3,4)5/h14-18,20,22-25H,1H2,2-13H3/t20-,22-,23-,24-,25-/m1/s1
InChIKeySJIMDUNARGPMFH-KUEHFBCJSA-N
MW492.85 g/mol
LogP7.28
Rot. Bonds7

About tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane (PubChem CID 11005509) has the molecular formula C27H48O4Si2 and a molecular weight of 492.85 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane
PubChem CID11005509
Molecular FormulaC27H48O4Si2
Molecular Weight492.85 g/mol
Exact Mass492.31
IUPAC Nametert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane
SMILESC=C(c1ccccc1)[C@H]1O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H48O4Si2/c1-19(21-17-15-14-16-18-21)22-25(31-33(12,13)27(6,7)8)24(28-9)23(20(2)29-22)30-32(10,11)26(3,4)5/h14-18,20,22-25H,1H2,2-13H3/t20-,22-,23-,24-,25-/m1/s1
InChIKeySJIMDUNARGPMFH-KUEHFBCJSA-N
XLogP7.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.85
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane (CID 11005509) is tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane is C=C(c1ccccc1)[C@H]1O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane?
The InChIKey is SJIMDUNARGPMFH-KUEHFBCJSA-N. The full InChI is InChI=1S/C27H48O4Si2/c1-19(21-17-15-14-16-18-21)22-25(31-33(12,13)27(6,7)8)24(28-9)23(20(2)29-22)30-32(10,11)26(3,4)5/h14-18,20,22-25H,1H2,2-13H3/t20-,22-,23-,24-,25-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane has a molecular weight of 492.85 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyl-6-(1-phenylethenyl)oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11005509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).