(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol

C30H34O3Si — CID 11605228

IUPAC(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol
SMILESC=C[C@@H](C#Cc1ccc(OC)cc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H34O3Si/c1-6-25(20-17-24-18-21-26(32-5)22-19-24)29(31)23-33-34(30(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h6-16,18-19,21-22,25,29,31H,1,23H2,2-5H3/t25-,29-/m0/s1
InChIKeyAIIDMVFQEAZRHU-SVEHJYQDSA-N
MW470.69 g/mol
LogP4.79
Rot. Bonds8

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

(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol (PubChem CID 11605228) has the molecular formula C30H34O3Si and a molecular weight of 470.69 g/mol. Its IUPAC name is (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol
PubChem CID11605228
Molecular FormulaC30H34O3Si
Molecular Weight470.69 g/mol
Exact Mass470.23
IUPAC Name(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol
SMILESC=C[C@@H](C#Cc1ccc(OC)cc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H34O3Si/c1-6-25(20-17-24-18-21-26(32-5)22-19-24)29(31)23-33-34(30(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h6-16,18-19,21-22,25,29,31H,1,23H2,2-5H3/t25-,29-/m0/s1
InChIKeyAIIDMVFQEAZRHU-SVEHJYQDSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.69
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol?
The IUPAC name of (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol (CID 11605228) is (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol?
The canonical SMILES for (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol is C=C[C@@H](C#Cc1ccc(OC)cc1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol?
The InChIKey is AIIDMVFQEAZRHU-SVEHJYQDSA-N. The full InChI is InChI=1S/C30H34O3Si/c1-6-25(20-17-24-18-21-26(32-5)22-19-24)29(31)23-33-34(30(2,3)4,27-13-9-7-10-14-27)28-15-11-8-12-16-28/h6-16,18-19,21-22,25,29,31H,1,23H2,2-5H3/t25-,29-/m0/s1.
What are the key properties of (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol?
(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol has a molecular weight of 470.69 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(4-methoxyphenyl)ethynyl]pent-4-en-2-ol is sourced from PubChem (CID 11605228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).