(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol

C26H52O5Si2 — CID 11432032

IUPAC(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\C[C@@H]2O[C@@H]([C@H](CO)O[Si](CC)(CC)CC)C[C@@H]2O1
InChIInChI=1S/C26H52O5Si2/c1-10-20(30-32(8,9)26(5,6)7)21-16-14-15-17-22-23(28-21)18-24(29-22)25(19-27)31-33(11-2,12-3)13-4/h14-15,20-25,27H,10-13,16-19H2,1-9H3/b15-14-/t20-,21-,22+,23+,24-,25+/m1/s1
InChIKeyMJUROFLZKIWPJI-IOEGIHHXSA-N
MW500.87 g/mol
LogP6.43
Rot. Bonds11

About (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol

(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol (PubChem CID 11432032) has the molecular formula C26H52O5Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol.

Molecular Properties

Compound Name(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol
PubChem CID11432032
Molecular FormulaC26H52O5Si2
Molecular Weight500.87 g/mol
Exact Mass500.34
IUPAC Name(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\C[C@@H]2O[C@@H]([C@H](CO)O[Si](CC)(CC)CC)C[C@@H]2O1
InChIInChI=1S/C26H52O5Si2/c1-10-20(30-32(8,9)26(5,6)7)21-16-14-15-17-22-23(28-21)18-24(29-22)25(19-27)31-33(11-2,12-3)13-4/h14-15,20-25,27H,10-13,16-19H2,1-9H3/b15-14-/t20-,21-,22+,23+,24-,25+/m1/s1
InChIKeyMJUROFLZKIWPJI-IOEGIHHXSA-N
XLogP6.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol?
The IUPAC name of (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol (CID 11432032) is (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol.
What is the SMILES notation for (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol?
The canonical SMILES for (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\C[C@@H]2O[C@@H]([C@H](CO)O[Si](CC)(CC)CC)C[C@@H]2O1.
What is the InChIKey of (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol?
The InChIKey is MJUROFLZKIWPJI-IOEGIHHXSA-N. The full InChI is InChI=1S/C26H52O5Si2/c1-10-20(30-32(8,9)26(5,6)7)21-16-14-15-17-22-23(28-21)18-24(29-22)25(19-27)31-33(11-2,12-3)13-4/h14-15,20-25,27H,10-13,16-19H2,1-9H3/b15-14-/t20-,21-,22+,23+,24-,25+/m1/s1.
What are the key properties of (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol?
(2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol has a molecular weight of 500.87 g/mol, XLogP of 6.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-2-triethylsilyloxyethanol is sourced from PubChem (CID 11432032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).