(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol

C10H23IO3Si — CID 102271148

IUPAC(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](I)CO
InChIInChI=1S/C10H23IO3Si/c1-10(2,3)15(4,5)14-7-9(13)8(11)6-12/h8-9,12-13H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyIVYJYADQIWIVSB-DTWKUNHWSA-N
MW346.28 g/mol
LogP2.16
Rot. Bonds5

About (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol

(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol (PubChem CID 102271148) has the molecular formula C10H23IO3Si and a molecular weight of 346.28 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
PubChem CID102271148
Molecular FormulaC10H23IO3Si
Molecular Weight346.28 g/mol
Exact Mass346.05
IUPAC Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](I)CO
InChIInChI=1S/C10H23IO3Si/c1-10(2,3)15(4,5)14-7-9(13)8(11)6-12/h8-9,12-13H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyIVYJYADQIWIVSB-DTWKUNHWSA-N
XLogP2.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
(2S)-3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol
CID 100997878
1,3-Propanediol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11481169
(1R,2S,3S)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 9991042
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 10466063
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxybutane-2,3-diol
CID 23254662
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 44556689
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxybutane-2,3-diol
CID 134855789
(1R,2R,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 134981275

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol?
The IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol (CID 102271148) is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol?
The canonical SMILES for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](I)CO.
What is the InChIKey of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol?
The InChIKey is IVYJYADQIWIVSB-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H23IO3Si/c1-10(2,3)15(4,5)14-7-9(13)8(11)6-12/h8-9,12-13H,6-7H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol?
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol has a molecular weight of 346.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol is sourced from PubChem (CID 102271148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).