[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol

C26H36O3Si — CID 71484241

IUPAC[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol
SMILESCC/C=C/C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H](CO)O1
InChIInChI=1S/C26H36O3Si/c1-5-6-9-18-24(25-19-21(20-27)28-25)29-30(26(2,3)4,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h6-17,21,24-25,27H,5,18-20H2,1-4H3/b9-6+/t21-,24+,25+/m0/s1
InChIKeyFQVYNEZJEGYWNP-VYGPEONOSA-N
MW424.66 g/mol
LogP4.44
Rot. Bonds9

About [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol

[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol (PubChem CID 71484241) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol
PubChem CID71484241
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Name[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol
SMILESCC/C=C/C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H](CO)O1
InChIInChI=1S/C26H36O3Si/c1-5-6-9-18-24(25-19-21(20-27)28-25)29-30(26(2,3)4,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h6-17,21,24-25,27H,5,18-20H2,1-4H3/b9-6+/t21-,24+,25+/m0/s1
InChIKeyFQVYNEZJEGYWNP-VYGPEONOSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 54.44
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'}

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Related Compounds

(2R,4R,6R)-6-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-4-methoxyoxan-2-ol
CID 171124063
tert-butyl (E)-4-[(3S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-2-hydroxyoxolan-3-yl]but-2-enoate
CID 102251169
(Z,8R)-8-[tert-butyl(diphenyl)silyl]oxy-8-[(2S,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(E,3S)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enenitrile
CID 11239851
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol
CID 11046141
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(2R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-2H-furan-5-one
CID 102201918
(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
CID 46844682
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol (CID 71484241) is [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol is CC/C=C/C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H](CO)O1.
What is the InChIKey of [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol?
The InChIKey is FQVYNEZJEGYWNP-VYGPEONOSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-5-6-9-18-24(25-19-21(20-27)28-25)29-30(26(2,3)4,22-14-10-7-11-15-22)23-16-12-8-13-17-23/h6-17,21,24-25,27H,5,18-20H2,1-4H3/b9-6+/t21-,24+,25+/m0/s1.
What are the key properties of [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol?
[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol has a molecular weight of 424.66 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol is sourced from PubChem (CID 71484241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).