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

C22H30O3Si — CID 134839665

IUPAC(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol
SMILESC=CC(CO)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-5-18(16-23)21(24)17-25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21,23-24H,1,16-17H2,2-4H3/t18?,21-/m1/s1
InChIKeyXMALMEMFZPNNER-BDPMCISCSA-N
MW370.57 g/mol
LogP2.72
Rot. Bonds8

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

(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol (PubChem CID 134839665) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol
PubChem CID134839665
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Name(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol
SMILESC=CC(CO)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-5-18(16-23)21(24)17-25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21,23-24H,1,16-17H2,2-4H3/t18?,21-/m1/s1
InChIKeyXMALMEMFZPNNER-BDPMCISCSA-N
XLogP2.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol?
The IUPAC name of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol (CID 134839665) is (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol?
The canonical SMILES for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol is C=CC(CO)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol?
The InChIKey is XMALMEMFZPNNER-BDPMCISCSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-5-18(16-23)21(24)17-25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15,18,21,23-24H,1,16-17H2,2-4H3/t18?,21-/m1/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol?
(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol has a molecular weight of 370.57 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol is sourced from PubChem (CID 134839665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).