(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine

C10H16F10O3Si — CID 160626554

IUPAC(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine
SMILESC[Si](C)(C)C#C[C@@]1(CO)C=C[C@H](O)O1.FF.FF.FF.FF.FF
InChIInChI=1S/C10H16O3Si.5F2/c1-14(2,3)7-6-10(8-11)5-4-9(12)13-10;5*1-2/h4-5,9,11-12H,8H2,1-3H3;;;;;/t9-,10-;;;;;/m1...../s1
InChIKeyRHJKPCZVVDOKNC-NSHLNBGESA-N
MW402.30 g/mol
LogP4.71
Rot. Bonds1

About (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine

(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine (PubChem CID 160626554) has the molecular formula C10H16F10O3Si and a molecular weight of 402.30 g/mol. Its IUPAC name is (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine.

Molecular Properties

Compound Name(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine
PubChem CID160626554
Molecular FormulaC10H16F10O3Si
Molecular Weight402.30 g/mol
Exact Mass402.07
IUPAC Name(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine
SMILESC[Si](C)(C)C#C[C@@]1(CO)C=C[C@H](O)O1.FF.FF.FF.FF.FF
InChIInChI=1S/C10H16O3Si.5F2/c1-14(2,3)7-6-10(8-11)5-4-9(12)13-10;5*1-2/h4-5,9,11-12H,8H2,1-3H3;;;;;/t9-,10-;;;;;/m1...../s1
InChIKeyRHJKPCZVVDOKNC-NSHLNBGESA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 54.71
H-Bond Donors ≤ 52
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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Related Compounds

5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol
CID 68452704
(R)-2,5-dihydro-5-(hydroxymethyl)-5-(2-(trimethylsilyl)ethynyl)furan-2-ol
CID 68452705
(2S,5R)-5-(2-trimethylsilylethynyl)-2,6-dihydropyran-2,5-diol
CID 68453878
(5R)-5-(Hydroxymethyl)-5-((trimethylsilyl)ethynyl)-2,5-dihydrofuran-2-ol
CID 71098723
(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol
CID 71127006
[(5R)-5-(2-trimethylsilylethynyl)-2H-furan-5-yl]methanol
CID 141311880

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine?
The IUPAC name of (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine (CID 160626554) is (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine.
What is the SMILES notation for (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine?
The canonical SMILES for (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine is C[Si](C)(C)C#C[C@@]1(CO)C=C[C@H](O)O1.FF.FF.FF.FF.FF.
What is the InChIKey of (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine?
The InChIKey is RHJKPCZVVDOKNC-NSHLNBGESA-N. The full InChI is InChI=1S/C10H16O3Si.5F2/c1-14(2,3)7-6-10(8-11)5-4-9(12)13-10;5*1-2/h4-5,9,11-12H,8H2,1-3H3;;;;;/t9-,10-;;;;;/m1...../s1.
What are the key properties of (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine?
(2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine has a molecular weight of 402.30 g/mol, XLogP of 4.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(hydroxymethyl)-5-(2-trimethylsilylethynyl)-2H-furan-2-ol;molecular fluorine is sourced from PubChem (CID 160626554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).