tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane

C20H42O4Si2 — CID 175257343

IUPACtert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O[SiH](C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-11-12-13-15(2)21-19-18(24-26(9,10)20(4,5)6)14-17(16(3)22-19)23-25(7)8/h11,15-19,25H,1,12-14H2,2-10H3/t15-,16+,17-,18-,19-/m1/s1
InChIKeyJDXPCATULZJTHZ-RHQZKXFESA-N
MW402.72 g/mol
LogP5.25
Rot. Bonds9

About tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 175257343) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID175257343
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Nametert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O[SiH](C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-11-12-13-15(2)21-19-18(24-26(9,10)20(4,5)6)14-17(16(3)22-19)23-25(7)8/h11,15-19,25H,1,12-14H2,2-10H3/t15-,16+,17-,18-,19-/m1/s1
InChIKeyJDXPCATULZJTHZ-RHQZKXFESA-N
XLogP5.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane (CID 175257343) is tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane is C=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O[SiH](C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is JDXPCATULZJTHZ-RHQZKXFESA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-11-12-13-15(2)21-19-18(24-26(9,10)20(4,5)6)14-17(16(3)22-19)23-25(7)8/h11,15-19,25H,1,12-14H2,2-10H3/t15-,16+,17-,18-,19-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 402.72 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,5R,6S)-5-dimethylsilyloxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 175257343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).