(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol

C20H34O4Si — CID 100966683

IUPAC(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
SMILESC=C[C@](CO)(OCc1ccccc1)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-7-20(16-21,23-15-17-11-9-8-10-12-17)18(22)13-14-24-25(5,6)19(2,3)4/h7-12,18,21-22H,1,13-16H2,2-6H3/t18-,20-/m1/s1
InChIKeyIFJGQWMZUPMQCX-UYAOXDASSA-N
MW366.57 g/mol
LogP3.89
Rot. Bonds10

About (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol

(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol (PubChem CID 100966683) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
PubChem CID100966683
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
SMILESC=C[C@](CO)(OCc1ccccc1)[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-7-20(16-21,23-15-17-11-9-8-10-12-17)18(22)13-14-24-25(5,6)19(2,3)4/h7-12,18,21-22H,1,13-16H2,2-6H3/t18-,20-/m1/s1
InChIKeyIFJGQWMZUPMQCX-UYAOXDASSA-N
XLogP3.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
CID 11204825
(E,2S,3S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyhept-4-en-3-ol
CID 101339691
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol?
The IUPAC name of (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol (CID 100966683) is (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol.
What is the SMILES notation for (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol?
The canonical SMILES for (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol is C=C[C@](CO)(OCc1ccccc1)[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol?
The InChIKey is IFJGQWMZUPMQCX-UYAOXDASSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-7-20(16-21,23-15-17-11-9-8-10-12-17)18(22)13-14-24-25(5,6)19(2,3)4/h7-12,18,21-22H,1,13-16H2,2-6H3/t18-,20-/m1/s1.
What are the key properties of (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol?
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol has a molecular weight of 366.57 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol is sourced from PubChem (CID 100966683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).