(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol

C21H28O2Si — CID 25223642

IUPAC(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
SMILESC[C@@H](O)/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-16,18,22H,17H2,1-4H3/b12-11+/t18-/m1/s1
InChIKeyFHZUACJXXWDVHK-IENJSVCTSA-N
MW340.54 g/mol
LogP3.50
Rot. Bonds6

About (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol

(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol (PubChem CID 25223642) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
PubChem CID25223642
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
SMILESC[C@@H](O)/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-16,18,22H,17H2,1-4H3/b12-11+/t18-/m1/s1
InChIKeyFHZUACJXXWDVHK-IENJSVCTSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.50
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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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 100945072
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
[(E,2S)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-yl] hex-5-enoate
CID 102211153
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol?
The IUPAC name of (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol (CID 25223642) is (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol.
What is the SMILES notation for (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol?
The canonical SMILES for (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol is C[C@@H](O)/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol?
The InChIKey is FHZUACJXXWDVHK-IENJSVCTSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-18(22)12-11-17-23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-16,18,22H,17H2,1-4H3/b12-11+/t18-/m1/s1.
What are the key properties of (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol?
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol has a molecular weight of 340.54 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol is sourced from PubChem (CID 25223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).