(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol

C10H24O4Si — CID 135040584

IUPAC(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H24O4Si/c1-10(2,3)15(4,5)14-7-9(13)8(12)6-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyDHAYGFAZXIDQBN-IUCAKERBSA-N
MW236.38 g/mol
LogP0.72
Rot. Bonds5

About (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol

(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol (PubChem CID 135040584) has the molecular formula C10H24O4Si and a molecular weight of 236.38 g/mol. Its IUPAC name is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol.

Molecular Properties

Compound Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol
PubChem CID135040584
Molecular FormulaC10H24O4Si
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H24O4Si/c1-10(2,3)15(4,5)14-7-9(13)8(12)6-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyDHAYGFAZXIDQBN-IUCAKERBSA-N
XLogP0.72
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.72
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

1-((Tert-butyldimethylsilyl)oxy)propan-2-ol
CID 13175134
(2R)-1-{[(1,1-Dimethylethyl)(dimethyl)silyl]oxy}propan-2-ol
CID 13175135
(S)-1-((Tert-butyldimethylsilyl)oxy)propan-2-OL
CID 13175136
1-Butanol, 3-t-butyldimethylsilyloxy-
CID 554645
1-Butanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3R)-
CID 11052750
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
(S)-4-(tert-butyldimethylsilyloxy)butan-2-ol
CID 10998136
4-((tert-Butyldimethylsilyl)oxy)butan-2-ol
CID 11019995
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methanol
CID 11665702
[(2R,3S)-3-{[(tert-butyldimethylsilyl)oxy]methyl}oxiran-2-yl]methanol
CID 11715506
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol?
The IUPAC name of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol (CID 135040584) is (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol.
What is the SMILES notation for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol?
The canonical SMILES for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol is CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol?
The InChIKey is DHAYGFAZXIDQBN-IUCAKERBSA-N. The full InChI is InChI=1S/C10H24O4Si/c1-10(2,3)15(4,5)14-7-9(13)8(12)6-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol?
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol has a molecular weight of 236.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol is sourced from PubChem (CID 135040584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).