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

C16H32O5Si — CID 11416317

IUPAC(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(16(4,5)6)19-10-14-13(21-22)9-11(18)12(20-14)7-8-17/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13+,14-/m1/s1
InChIKeyUDDKTTBXOBJUKO-ZOBORPQBSA-N
MW332.51 g/mol
LogP2.35
Rot. Bonds2

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

(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 11416317) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID11416317
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C16H32O5Si/c1-15(2,3)22(16(4,5)6)19-10-14-13(21-22)9-11(18)12(20-14)7-8-17/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13+,14-/m1/s1
InChIKeyUDDKTTBXOBJUKO-ZOBORPQBSA-N
XLogP2.35
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (CID 11416317) is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.
What is the SMILES notation for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](CCO)[C@H](O)C[C@@H]2O1.
What is the InChIKey of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is UDDKTTBXOBJUKO-ZOBORPQBSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)22(16(4,5)6)19-10-14-13(21-22)9-11(18)12(20-14)7-8-17/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 332.51 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 11416317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).