(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol

C24H44O3Si2 — CID 10928262

IUPAC(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C24H44O3Si2/c1-10-11-13-17-22(27-29(8,9)24(2,3)4)23-19-20(25)21(26-23)16-14-12-15-18-28(5,6)7/h11-14,20-23,25H,10,16-17,19H2,1-9H3/b13-11+,14-12+/t20-,21-,22+,23-/m1/s1
InChIKeyNLWUIIKMDBIYNU-ICIGPFSYSA-N
MW436.79 g/mol
LogP6.08
Rot. Bonds8

About (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol

(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol (PubChem CID 10928262) has the molecular formula C24H44O3Si2 and a molecular weight of 436.79 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol
PubChem CID10928262
Molecular FormulaC24H44O3Si2
Molecular Weight436.79 g/mol
Exact Mass436.28
IUPAC Name(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1
InChIInChI=1S/C24H44O3Si2/c1-10-11-13-17-22(27-29(8,9)24(2,3)4)23-19-20(25)21(26-23)16-14-12-15-18-28(5,6)7/h11-14,20-23,25H,10,16-17,19H2,1-9H3/b13-11+,14-12+/t20-,21-,22+,23-/m1/s1
InChIKeyNLWUIIKMDBIYNU-ICIGPFSYSA-N
XLogP6.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.79
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol (CID 10928262) is (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol is CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](O)[C@@H](C/C=C/C#C[Si](C)(C)C)O1.
What is the InChIKey of (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol?
The InChIKey is NLWUIIKMDBIYNU-ICIGPFSYSA-N. The full InChI is InChI=1S/C24H44O3Si2/c1-10-11-13-17-22(27-29(8,9)24(2,3)4)23-19-20(25)21(26-23)16-14-12-15-18-28(5,6)7/h11-14,20-23,25H,10,16-17,19H2,1-9H3/b13-11+,14-12+/t20-,21-,22+,23-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol?
(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol has a molecular weight of 436.79 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-ol is sourced from PubChem (CID 10928262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).