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

C18H36O5Si — CID 11473896

IUPAC(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@@]2(C)O[C@@](C)(CCO)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C18H36O5Si/c1-15(2,3)24(16(4,5)6)21-12-18(8)14(22-24)11-13(20)17(7,23-18)9-10-19/h13-14,19-20H,9-12H2,1-8H3/t13-,14+,17+,18-/m1/s1
InChIKeyBCMFWMVAZRXVLY-IDCJVQTKSA-N
MW360.57 g/mol
LogP3.13
Rot. Bonds2

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

(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 11473896) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID11473896
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@@]2(C)O[C@@](C)(CCO)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C18H36O5Si/c1-15(2,3)24(16(4,5)6)21-12-18(8)14(22-24)11-13(20)17(7,23-18)9-10-19/h13-14,19-20H,9-12H2,1-8H3/t13-,14+,17+,18-/m1/s1
InChIKeyBCMFWMVAZRXVLY-IDCJVQTKSA-N
XLogP3.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.13
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)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[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)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (CID 11473896) is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[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)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is CC(C)(C)[Si]1(C(C)(C)C)OC[C@@]2(C)O[C@@](C)(CCO)[C@H](O)C[C@@H]2O1.
What is the InChIKey of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is BCMFWMVAZRXVLY-IDCJVQTKSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-15(2,3)24(16(4,5)6)21-12-18(8)14(22-24)11-13(20)17(7,23-18)9-10-19/h13-14,19-20H,9-12H2,1-8H3/t13-,14+,17+,18-/m1/s1.
What are the key properties of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-(2-hydroxyethyl)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 360.57 g/mol, XLogP of 3.13, 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)-4a,6-dimethyl-4,7,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 11473896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).