(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol

C23H48O5Si2 — CID 162456871

IUPAC(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1[C@H](C)CO
InChIInChI=1S/C23H48O5Si2/c1-11-29(12-2,13-3)27-19-14-18-20(26-21(19)17(4)15-24)16-25-30(28-18,22(5,6)7)23(8,9)10/h17-21,24H,11-16H2,1-10H3/t17-,18-,19+,20-,21+/m1/s1
InChIKeyNHLWZNGTNIQNQR-ADAARDCZSA-N
MW460.80 g/mol
LogP5.62
Rot. Bonds7

About (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol

(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol (PubChem CID 162456871) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol
PubChem CID162456871
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1[C@H](C)CO
InChIInChI=1S/C23H48O5Si2/c1-11-29(12-2,13-3)27-19-14-18-20(26-21(19)17(4)15-24)16-25-30(28-18,22(5,6)7)23(8,9)10/h17-21,24H,11-16H2,1-10H3/t17-,18-,19+,20-,21+/m1/s1
InChIKeyNHLWZNGTNIQNQR-ADAARDCZSA-N
XLogP5.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol (CID 162456871) is (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol is CC[Si](CC)(CC)O[C@H]1C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1[C@H](C)CO.
What is the InChIKey of (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol?
The InChIKey is NHLWZNGTNIQNQR-ADAARDCZSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-11-29(12-2,13-3)27-19-14-18-20(26-21(19)17(4)15-24)16-25-30(28-18,22(5,6)7)23(8,9)10/h17-21,24H,11-16H2,1-10H3/t17-,18-,19+,20-,21+/m1/s1.
What are the key properties of (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol?
(2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol has a molecular weight of 460.80 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4aR,6S,7S,8aR)-2,2-ditert-butyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]propan-1-ol is sourced from PubChem (CID 162456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).