triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane

C15H28O3Si — CID 10660760

IUPACtriethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane
SMILESC#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O3Si/c1-7-13-15(14(16-6)12(5)11-17-13)18-19(8-2,9-3)10-4/h1,12-15H,8-11H2,2-6H3/t12-,13-,14-,15-/m0/s1
InChIKeyXOGVYLGTMXCZGR-AJNGGQMLSA-N
MW284.47 g/mol
LogP3.06
Rot. Bonds6

About triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane

triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane (PubChem CID 10660760) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane
PubChem CID10660760
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametriethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane
SMILESC#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O3Si/c1-7-13-15(14(16-6)12(5)11-17-13)18-19(8-2,9-3)10-4/h1,12-15H,8-11H2,2-6H3/t12-,13-,14-,15-/m0/s1
InChIKeyXOGVYLGTMXCZGR-AJNGGQMLSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol
CID 18616697
Trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane
CID 21392997
tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848916
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
tert-butyl-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-ynyloxan-3-yl]oxy-dimethylsilane
CID 57324142
Tert-butyl-dimethyl-[[4-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 141024686
tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 150504388
Tert-butyl-dimethyl-[(4-methyloxan-2-yl)methoxy]silane
CID 157973133
tert-butyl-[(2R,3R,4R,5S)-3-methoxy-2,5,6-trimethyloxan-4-yl]oxy-dimethylsilane
CID 159483959
tert-butyl-[[(2R,3S,5R)-3-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane
CID 173745393

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane (CID 10660760) is triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane is C#C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane?
The InChIKey is XOGVYLGTMXCZGR-AJNGGQMLSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-13-15(14(16-6)12(5)11-17-13)18-19(8-2,9-3)10-4/h1,12-15H,8-11H2,2-6H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane?
triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane has a molecular weight of 284.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane is sourced from PubChem (CID 10660760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).