(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C15H28O4Si — CID 166449254

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h1,11-13,16H,10H2,2-8H3/t11-,12-,13+/m1/s1
InChIKeyRLYRFCIEWDYKTE-UPJWGTAASA-N
MW300.47 g/mol
LogP2.52
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 166449254) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID166449254
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC#C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h1,11-13,16H,10H2,2-8H3/t11-,12-,13+/m1/s1
InChIKeyRLYRFCIEWDYKTE-UPJWGTAASA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 166449254) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is C#C[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is RLYRFCIEWDYKTE-UPJWGTAASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h1,11-13,16H,10H2,2-8H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 300.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 166449254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).