(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol

C17H30O4Si — CID 10853609

IUPAC(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)[C@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C17H30O4Si/c1-17(2,3)22(4,5)21-12-11-14(18)16(20)15(19)13-9-7-6-8-10-13/h6-10,14-16,18-20H,11-12H2,1-5H3/t14-,15-,16+/m1/s1
InChIKeyTZZCMKYCKWSNLB-OAGGEKHMSA-N
MW326.51 g/mol
LogP2.85
Rot. Bonds7

About (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol

(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol (PubChem CID 10853609) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
PubChem CID10853609
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)[C@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C17H30O4Si/c1-17(2,3)22(4,5)21-12-11-14(18)16(20)15(19)13-9-7-6-8-10-13/h6-10,14-16,18-20H,11-12H2,1-5H3/t14-,15-,16+/m1/s1
InChIKeyTZZCMKYCKWSNLB-OAGGEKHMSA-N
XLogP2.85
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
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
(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
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol?
The IUPAC name of (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol (CID 10853609) is (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol.
What is the SMILES notation for (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol?
The canonical SMILES for (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol is CC(C)(C)[Si](C)(C)OCC[C@@H](O)[C@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol?
The InChIKey is TZZCMKYCKWSNLB-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-17(2,3)22(4,5)21-12-11-14(18)16(20)15(19)13-9-7-6-8-10-13/h6-10,14-16,18-20H,11-12H2,1-5H3/t14-,15-,16+/m1/s1.
What are the key properties of (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol?
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol has a molecular weight of 326.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol is sourced from PubChem (CID 10853609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).