[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol

C17H28O4Si — CID 102054254

IUPAC[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16-13-19-17(20-15(16)12-18)14-10-8-7-9-11-14/h7-11,15-18H,4-6,12-13H2,1-3H3/t15-,16+,17+/m0/s1
InChIKeyKMVNTDCULMGXIS-GVDBMIGSSA-N
MW324.49 g/mol
LogP3.48
Rot. Bonds7

About [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol

[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol (PubChem CID 102054254) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
PubChem CID102054254
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16-13-19-17(20-15(16)12-18)14-10-8-7-9-11-14/h7-11,15-18H,4-6,12-13H2,1-3H3/t15-,16+,17+/m0/s1
InChIKeyKMVNTDCULMGXIS-GVDBMIGSSA-N
XLogP3.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[(4S,5R)-4-ethyl-2-phenyl-1,3-dioxan-5-yl] hydrogen sulfate
CID 89332534
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
CID 71146249
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
CID 11489560
methyl (E)-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-1,3-dioxan-4-yl]but-2-enoate
CID 11811274
(4-butyl-2-phenyl-1,3-dioxan-5-yl) methanesulfonate
CID 134389517
(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde
CID 52916317
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
(2S,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol (CID 102054254) is [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol is CC[Si](CC)(CC)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO.
What is the InChIKey of [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol?
The InChIKey is KMVNTDCULMGXIS-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-4-22(5-2,6-3)21-16-13-19-17(20-15(16)12-18)14-10-8-7-9-11-14/h7-11,15-18H,4-6,12-13H2,1-3H3/t15-,16+,17+/m0/s1.
What are the key properties of [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol?
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol has a molecular weight of 324.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 102054254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).