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

C19H38O3Si — CID 167709080

IUPACtert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-12-15(3)20-18-17(13-14(2)16(4)21-18)22-23(8,9)19(5,6)7/h10,14-18H,1,11-13H2,2-9H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyZNYBMHIROALPPV-UYTYNIKBSA-N
MW342.60 g/mol
LogP5.52
Rot. Bonds7

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

tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane (PubChem CID 167709080) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane
PubChem CID167709080
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-12-15(3)20-18-17(13-14(2)16(4)21-18)22-23(8,9)19(5,6)7/h10,14-18H,1,11-13H2,2-9H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyZNYBMHIROALPPV-UYTYNIKBSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.52
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-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane (CID 167709080) is tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane is C=CCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is ZNYBMHIROALPPV-UYTYNIKBSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-12-15(3)20-18-17(13-14(2)16(4)21-18)22-23(8,9)19(5,6)7/h10,14-18H,1,11-13H2,2-9H3/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,5R,6S)-2-[(2R)-hex-5-en-2-yl]oxy-5,6-dimethyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 167709080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).