tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

C15H28O3Si — CID 57251271

IUPACtert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESC#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-12-14(13(16-6)11(2)10-17-12)18-19(7,8)15(3,4)5/h1,11-14H,10H2,2-8H3/t11-,12-,13-,14-/m0/s1
InChIKeyLJINGSJCLHCEDV-XUXIUFHCSA-N
MW284.47 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 57251271) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID57251271
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESC#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-9-12-14(13(16-6)11(2)10-17-12)18-19(7,8)15(3,4)5/h1,11-14H,10H2,2-8H3/t11-,12-,13-,14-/m0/s1
InChIKeyLJINGSJCLHCEDV-XUXIUFHCSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (CID 57251271) is tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is C#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is LJINGSJCLHCEDV-XUXIUFHCSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-12-14(13(16-6)11(2)10-17-12)18-19(7,8)15(3,4)5/h1,11-14H,10H2,2-8H3/t11-,12-,13-,14-/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57251271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).