(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol

C22H34O3Si2 — CID 10894709

IUPAC(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol
SMILESC[Si](C)(C[C@H]1CC=C[C@@H]2C=C[C@@]21O)O[Si](C)(C)C[C@H]1CC=C[C@@H]2C=C[C@@]21O
InChIInChI=1S/C22H34O3Si2/c1-26(2,15-19-9-5-7-17-11-13-21(17,19)23)25-27(3,4)16-20-10-6-8-18-12-14-22(18,20)24/h5-8,11-14,17-20,23-24H,9-10,15-16H2,1-4H3/t17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyZKIZXFIOZKKFME-CGXUPHRESA-N
MW402.68 g/mol
LogP4.40
Rot. Bonds6

About (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol

(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol (PubChem CID 10894709) has the molecular formula C22H34O3Si2 and a molecular weight of 402.68 g/mol. Its IUPAC name is (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol.

Molecular Properties

Compound Name(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol
PubChem CID10894709
Molecular FormulaC22H34O3Si2
Molecular Weight402.68 g/mol
Exact Mass402.20
IUPAC Name(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol
SMILESC[Si](C)(C[C@H]1CC=C[C@@H]2C=C[C@@]21O)O[Si](C)(C)C[C@H]1CC=C[C@@H]2C=C[C@@]21O
InChIInChI=1S/C22H34O3Si2/c1-26(2,15-19-9-5-7-17-11-13-21(17,19)23)25-27(3,4)16-20-10-6-8-18-12-14-22(18,20)24/h5-8,11-14,17-20,23-24H,9-10,15-16H2,1-4H3/t17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyZKIZXFIOZKKFME-CGXUPHRESA-N
XLogP4.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol?
The IUPAC name of (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol (CID 10894709) is (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol.
What is the SMILES notation for (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol?
The canonical SMILES for (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol is C[Si](C)(C[C@H]1CC=C[C@@H]2C=C[C@@]21O)O[Si](C)(C)C[C@H]1CC=C[C@@H]2C=C[C@@]21O.
What is the InChIKey of (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol?
The InChIKey is ZKIZXFIOZKKFME-CGXUPHRESA-N. The full InChI is InChI=1S/C22H34O3Si2/c1-26(2,15-19-9-5-7-17-11-13-21(17,19)23)25-27(3,4)16-20-10-6-8-18-12-14-22(18,20)24/h5-8,11-14,17-20,23-24H,9-10,15-16H2,1-4H3/t17-,18-,19-,20-,21-,22-/m1/s1.
What are the key properties of (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol?
(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol has a molecular weight of 402.68 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol is sourced from PubChem (CID 10894709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).