(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol

C20H24O2Si — CID 14778754

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol
SMILESC#C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24O2Si/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/h1,6-15,17,21H,16H2,2-4H3/t17-/m0/s1
InChIKeyRDSJHLBWIDSOQE-KRWDZBQOSA-N
MW324.50 g/mol
LogP2.56
Rot. Bonds5

About (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol

(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol (PubChem CID 14778754) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol
PubChem CID14778754
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol
SMILESC#C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24O2Si/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/h1,6-15,17,21H,16H2,2-4H3/t17-/m0/s1
InChIKeyRDSJHLBWIDSOQE-KRWDZBQOSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol (CID 14778754) is (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol is C#C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol?
The InChIKey is RDSJHLBWIDSOQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24O2Si/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/h1,6-15,17,21H,16H2,2-4H3/t17-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol?
(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol has a molecular weight of 324.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-yn-2-ol is sourced from PubChem (CID 14778754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).