(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol

C25H34O2SSi — CID 102082772

IUPAC(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol
SMILESC=CCSC[C@H](C=C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O2SSi/c1-6-18-28-20-21(7-2)24(26)19-27-29(25(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h6-17,21,24,26H,1-2,18-20H2,3-5H3/t21-,24-/m0/s1
InChIKeyXQKQOLGMDFCHTD-URXFXBBRSA-N
MW426.70 g/mol
LogP4.65
Rot. Bonds11

About (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol

(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol (PubChem CID 102082772) has the molecular formula C25H34O2SSi and a molecular weight of 426.70 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol
PubChem CID102082772
Molecular FormulaC25H34O2SSi
Molecular Weight426.70 g/mol
Exact Mass426.20
IUPAC Name(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol
SMILESC=CCSC[C@H](C=C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O2SSi/c1-6-18-28-20-21(7-2)24(26)19-27-29(25(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h6-17,21,24,26H,1-2,18-20H2,3-5H3/t21-,24-/m0/s1
InChIKeyXQKQOLGMDFCHTD-URXFXBBRSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(2R)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 11099904
(2S)-1-{[tert-butyl(diphenyl)silyl]oxy}pent-4-en-2-ol
CID 11782782
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11610429
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15191436
(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 91998827
(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethenylbutane-1,3-diol
CID 134839665
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
4-[Tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithiolan-2-yl)tetradecan-3-ol
CID 134906130
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)butan-2-ol
CID 134936237
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 134936259

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol?
The IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol (CID 102082772) is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol is C=CCSC[C@H](C=C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol?
The InChIKey is XQKQOLGMDFCHTD-URXFXBBRSA-N. The full InChI is InChI=1S/C25H34O2SSi/c1-6-18-28-20-21(7-2)24(26)19-27-29(25(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h6-17,21,24,26H,1-2,18-20H2,3-5H3/t21-,24-/m0/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol?
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol has a molecular weight of 426.70 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(prop-2-enylsulfanylmethyl)pent-4-en-2-ol is sourced from PubChem (CID 102082772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).