(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol

C20H26O2Si — CID 10639861

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol
SMILESC=C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17,21H,1,16H2,2-4H3/t17-/m1/s1
InChIKeyONHWPQAZLVSNNF-QGZVFWFLSA-N
MW326.51 g/mol
LogP3.11
Rot. Bonds6

About (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol (PubChem CID 10639861) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol
PubChem CID10639861
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol
SMILESC=C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17,21H,1,16H2,2-4H3/t17-/m1/s1
InChIKeyONHWPQAZLVSNNF-QGZVFWFLSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol (CID 10639861) is (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol is C=C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol?
The InChIKey is ONHWPQAZLVSNNF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17,21H,1,16H2,2-4H3/t17-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol has a molecular weight of 326.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-ol is sourced from PubChem (CID 10639861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).