3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane

C14H24O4Si — CID 11185224

IUPAC3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane
SMILESCOC[C@H]1O[C@H](OCC#C[Si](C)(C)C)C=C[C@@H]1OC
InChIInChI=1S/C14H24O4Si/c1-15-11-13-12(16-2)7-8-14(18-13)17-9-6-10-19(3,4)5/h7-8,12-14H,9,11H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyPSAWUJASNFJTPS-MJBXVCDLSA-N
MW284.43 g/mol
LogP1.83
Rot. Bonds5

About 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane

3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane (PubChem CID 11185224) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane
PubChem CID11185224
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane
SMILESCOC[C@H]1O[C@H](OCC#C[Si](C)(C)C)C=C[C@@H]1OC
InChIInChI=1S/C14H24O4Si/c1-15-11-13-12(16-2)7-8-14(18-13)17-9-6-10-19(3,4)5/h7-8,12-14H,9,11H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyPSAWUJASNFJTPS-MJBXVCDLSA-N
XLogP1.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.83
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane (CID 11185224) is 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane is COC[C@H]1O[C@H](OCC#C[Si](C)(C)C)C=C[C@@H]1OC.
What is the InChIKey of 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane?
The InChIKey is PSAWUJASNFJTPS-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-15-11-13-12(16-2)7-8-14(18-13)17-9-6-10-19(3,4)5/h7-8,12-14H,9,11H2,1-5H3/t12-,13+,14-/m0/s1.
What are the key properties of 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane?
3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane has a molecular weight of 284.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3S,6S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 11185224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).