(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol

C22H30O2Si — CID 44542246

IUPAC(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
SMILESC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C22H30O2Si/c1-6-19(18(2)23)17-24-25(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,23H,17H2,1-5H3/b19-6+/t18-/m0/s1
InChIKeyIBDDTDDEYSVUFJ-HLLXJSGTSA-N
MW354.57 g/mol
LogP3.89
Rot. Bonds6

About (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol

(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol (PubChem CID 44542246) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
PubChem CID44542246
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
SMILESC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C22H30O2Si/c1-6-19(18(2)23)17-24-25(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,23H,17H2,1-5H3/b19-6+/t18-/m0/s1
InChIKeyIBDDTDDEYSVUFJ-HLLXJSGTSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.89
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

(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865
(E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 56653219
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590

Frequently Asked Questions

What is the IUPAC name of (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol?
The IUPAC name of (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol (CID 44542246) is (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol.
What is the SMILES notation for (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol?
The canonical SMILES for (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol is C/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol?
The InChIKey is IBDDTDDEYSVUFJ-HLLXJSGTSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-6-19(18(2)23)17-24-25(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,23H,17H2,1-5H3/b19-6+/t18-/m0/s1.
What are the key properties of (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol?
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol has a molecular weight of 354.57 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol is sourced from PubChem (CID 44542246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).