2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol

C23H34O3Si — CID 69285405

IUPAC2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CO)CO
InChIInChI=1S/C23H34O3Si/c1-19(20(17-24)18-25)15-16-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,24-25H,15-18H2,1-4H3/t19-/m0/s1
InChIKeySXFBJDDVDFMMSG-IBGZPJMESA-N
MW386.61 g/mol
LogP3.19
Rot. Bonds9

About 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol

2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol (PubChem CID 69285405) has the molecular formula C23H34O3Si and a molecular weight of 386.61 g/mol. Its IUPAC name is 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
PubChem CID69285405
Molecular FormulaC23H34O3Si
Molecular Weight386.61 g/mol
Exact Mass386.23
IUPAC Name2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CO)CO
InChIInChI=1S/C23H34O3Si/c1-19(20(17-24)18-25)15-16-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,24-25H,15-18H2,1-4H3/t19-/m0/s1
InChIKeySXFBJDDVDFMMSG-IBGZPJMESA-N
XLogP3.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 53.19
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

(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol?
The IUPAC name of 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol (CID 69285405) is 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol.
What is the SMILES notation for 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol?
The canonical SMILES for 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol is C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CO)CO.
What is the InChIKey of 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol?
The InChIKey is SXFBJDDVDFMMSG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34O3Si/c1-19(20(17-24)18-25)15-16-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,24-25H,15-18H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol?
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol has a molecular weight of 386.61 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol is sourced from PubChem (CID 69285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).