tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane

C26H48O3Si2 — CID 11374706

IUPACtert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-21(18-19-28-30(9,10)25(3,4)5)24(29-31(11,12)26(6,7)8)22(2)27-20-23-16-14-13-15-17-23/h13-17,22,24H,1,18-20H2,2-12H3/t22-,24+/m0/s1
InChIKeyMXHKWKXQYUBPDZ-LADGPHEKSA-N
MW464.84 g/mol
LogP7.95
Rot. Bonds11

About tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane (PubChem CID 11374706) has the molecular formula C26H48O3Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane
PubChem CID11374706
Molecular FormulaC26H48O3Si2
Molecular Weight464.84 g/mol
Exact Mass464.31
IUPAC Nametert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-21(18-19-28-30(9,10)25(3,4)5)24(29-31(11,12)26(6,7)8)22(2)27-20-23-16-14-13-15-17-23/h13-17,22,24H,1,18-20H2,2-12H3/t22-,24+/m0/s1
InChIKeyMXHKWKXQYUBPDZ-LADGPHEKSA-N
XLogP7.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane (CID 11374706) is tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane is C=C(CCO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)OCc1ccccc1.
What is the InChIKey of tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane?
The InChIKey is MXHKWKXQYUBPDZ-LADGPHEKSA-N. The full InChI is InChI=1S/C26H48O3Si2/c1-21(18-19-28-30(9,10)25(3,4)5)24(29-31(11,12)26(6,7)8)22(2)27-20-23-16-14-13-15-17-23/h13-17,22,24H,1,18-20H2,2-12H3/t22-,24+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane has a molecular weight of 464.84 g/mol, XLogP of 7.95, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-2-phenylmethoxyhexan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).