(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol

C16H28O3Si — CID 175760972

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C(O)c1ccccc1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-12-11-14(17)15(18)13-9-7-6-8-10-13/h6-10,14-15,17-18H,11-12H2,1-5H3/t14-,15?/m1/s1
InChIKeyCMDSYLBTSSTSCD-GICMACPYSA-N
MW296.48 g/mol
LogP3.49
Rot. Bonds6

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol (PubChem CID 175760972) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
PubChem CID175760972
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C(O)c1ccccc1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-12-11-14(17)15(18)13-9-7-6-8-10-13/h6-10,14-15,17-18H,11-12H2,1-5H3/t14-,15?/m1/s1
InChIKeyCMDSYLBTSSTSCD-GICMACPYSA-N
XLogP3.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
[(3S,4S)-3,4-dihydroxy-4-phenylbutyl] 2,2-dimethylpropanoate
CID 118379236
(1S,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidene-1-phenylhexan-1-ol
CID 134930493
(2R)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 10503965
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
CID 15108858
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol (CID 175760972) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol is CC(C)(C)[Si](C)(C)OCC[C@@H](O)C(O)c1ccccc1.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol?
The InChIKey is CMDSYLBTSSTSCD-GICMACPYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-12-11-14(17)15(18)13-9-7-6-8-10-13/h6-10,14-15,17-18H,11-12H2,1-5H3/t14-,15?/m1/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol has a molecular weight of 296.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol is sourced from PubChem (CID 175760972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).