(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol

C21H28O2Si — CID 102030687

IUPAC(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
SMILESC=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C21H28O2Si/c1-6-20(17(2)22)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-17,20,22H,1H2,2-5H3/t17-,20+/m0/s1
InChIKeyDJGDEBLHULJTJJ-FXAWDEMLSA-N
MW340.54 g/mol
LogP3.50
Rot. Bonds6

About (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol

(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol (PubChem CID 102030687) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
PubChem CID102030687
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
SMILESC=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C21H28O2Si/c1-6-20(17(2)22)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-17,20,22H,1H2,2-5H3/t17-,20+/m0/s1
InChIKeyDJGDEBLHULJTJJ-FXAWDEMLSA-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

(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
tert-butyl-[(3R,4R,5E)-3,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321592
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol (CID 102030687) is (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol is C=C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The InChIKey is DJGDEBLHULJTJJ-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-6-20(17(2)22)23-24(21(3,4)5,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h6-17,20,22H,1H2,2-5H3/t17-,20+/m0/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-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 (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol is sourced from PubChem (CID 102030687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).