[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol

C14H24O3Si — CID 153467094

IUPAC[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC#CC1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C14H24O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h1,8-9,11-13,15H,10H2,2-6H3/t11?,12-,13-/m1/s1
InChIKeyZCGBDISOKBXKCD-VFRRUGBOSA-N
MW268.43 g/mol
LogP2.33
Rot. Bonds3

About [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol

[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 153467094) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID153467094
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC#CC1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C14H24O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h1,8-9,11-13,15H,10H2,2-6H3/t11?,12-,13-/m1/s1
InChIKeyZCGBDISOKBXKCD-VFRRUGBOSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol (CID 153467094) is [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol is C#CC1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1.
What is the InChIKey of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is ZCGBDISOKBXKCD-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-11-8-9-12(13(10-15)16-11)17-18(5,6)14(2,3)4/h1,8-9,11-13,15H,10H2,2-6H3/t11?,12-,13-/m1/s1.
What are the key properties of [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol?
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 153467094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).