(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol

C25H52O4Si2 — CID 87211124

IUPAC(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@H]1C[C@](C)(/C=C/CO)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O4Si2/c1-10-22(28-30(11-2,12-3)13-4)21(8)24-23(27-24)20-25(9,18-17-19-26)29-31(14-5,15-6)16-7/h17-18,21-24,26H,10-16,19-20H2,1-9H3/b18-17+/t21-,22+,23-,24-,25+/m1/s1
InChIKeyMYYSCUZFXZQNNY-CAGPUBSFSA-N
MW472.86 g/mol
LogP6.91
Rot. Bonds17

About (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol

(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol (PubChem CID 87211124) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol
PubChem CID87211124
Molecular FormulaC25H52O4Si2
Molecular Weight472.86 g/mol
Exact Mass472.34
IUPAC Name(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@H]1C[C@](C)(/C=C/CO)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O4Si2/c1-10-22(28-30(11-2,12-3)13-4)21(8)24-23(27-24)20-25(9,18-17-19-26)29-31(14-5,15-6)16-7/h17-18,21-24,26H,10-16,19-20H2,1-9H3/b18-17+/t21-,22+,23-,24-,25+/m1/s1
InChIKeyMYYSCUZFXZQNNY-CAGPUBSFSA-N
XLogP6.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol?
The IUPAC name of (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol (CID 87211124) is (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol?
The canonical SMILES for (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol is CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@H]1C[C@](C)(/C=C/CO)O[Si](CC)(CC)CC.
What is the InChIKey of (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol?
The InChIKey is MYYSCUZFXZQNNY-CAGPUBSFSA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-10-22(28-30(11-2,12-3)13-4)21(8)24-23(27-24)20-25(9,18-17-19-26)29-31(14-5,15-6)16-7/h17-18,21-24,26H,10-16,19-20H2,1-9H3/b18-17+/t21-,22+,23-,24-,25+/m1/s1.
What are the key properties of (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol?
(E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol has a molecular weight of 472.86 g/mol, XLogP of 6.91, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-methyl-4-triethylsilyloxy-5-[(2R,3R)-3-[(2S,3S)-3-triethylsilyloxypentan-2-yl]oxiran-2-yl]pent-2-en-1-ol is sourced from PubChem (CID 87211124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).