(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol

C21H28O4Si — CID 140511957

IUPAC(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
SMILESCC(C)(C)[Si](C(O)=C[C@H](O)[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(25)14-18(23)19(24)15-22/h4-14,18-19,22-25H,15H2,1-3H3/t18-,19+/m0/s1
InChIKeyUTOUFEGWNXMWMB-RBUKOAKNSA-N
MW372.54 g/mol
LogP1.74
Rot. Bonds6

About (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol

(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol (PubChem CID 140511957) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
PubChem CID140511957
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Name(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol
SMILESCC(C)(C)[Si](C(O)=C[C@H](O)[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(25)14-18(23)19(24)15-22/h4-14,18-19,22-25H,15H2,1-3H3/t18-,19+/m0/s1
InChIKeyUTOUFEGWNXMWMB-RBUKOAKNSA-N
XLogP1.74
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-ol
CID 11121676
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
(2R,3S)-4-phenyliminobutane-1,2,3-triol
CID 98079118
(E)-3-[tert-butyl(diphenyl)silyl]-5-trimethylsilyl-2-trimethylstannylpent-2-en-4-yn-1-ol
CID 6312841
1-[tert-butyl(diphenyl)silyl]-2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-en-1-one
CID 10741300
[(3E,9E)-4,9-bis[tert-butyl(diphenyl)silyl]-3,10-dichloro-12-trimethylsilyldodeca-3,9-dien-5,7-diynyl]-trimethylsilane
CID 102420798
tert-butyl-hex-1-en-2-yl-diphenylsilane
CID 10314087
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol?
The IUPAC name of (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol (CID 140511957) is (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol.
What is the SMILES notation for (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol?
The canonical SMILES for (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol is CC(C)(C)[Si](C(O)=C[C@H](O)[C@H](O)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol?
The InChIKey is UTOUFEGWNXMWMB-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(25)14-18(23)19(24)15-22/h4-14,18-19,22-25H,15H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol?
(2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol has a molecular weight of 372.54 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-[tert-butyl(diphenyl)silyl]pent-4-ene-1,2,3,5-tetrol is sourced from PubChem (CID 140511957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).