3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one

C29H42O4Si — CID 14569029

IUPAC3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C29H42O4Si/c1-22(30)28(5,6)26-21-23(32-29(7,8)33-26)19-20-31-34(27(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,19-21H2,1-8H3/t23-,26+/m1/s1
InChIKeySZINVZLRVKZRKP-BVAGGSTKSA-N
MW482.74 g/mol
LogP5.48
Rot. Bonds8

About 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one

3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one (PubChem CID 14569029) has the molecular formula C29H42O4Si and a molecular weight of 482.74 g/mol. Its IUPAC name is 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one
PubChem CID14569029
Molecular FormulaC29H42O4Si
Molecular Weight482.74 g/mol
Exact Mass482.29
IUPAC Name3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C29H42O4Si/c1-22(30)28(5,6)26-21-23(32-29(7,8)33-26)19-20-31-34(27(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,19-21H2,1-8H3/t23-,26+/m1/s1
InChIKeySZINVZLRVKZRKP-BVAGGSTKSA-N
XLogP5.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.74
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one 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 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one?
The IUPAC name of 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one (CID 14569029) is 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one.
What is the SMILES notation for 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one?
The canonical SMILES for 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one is CC(=O)C(C)(C)[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one?
The InChIKey is SZINVZLRVKZRKP-BVAGGSTKSA-N. The full InChI is InChI=1S/C29H42O4Si/c1-22(30)28(5,6)26-21-23(32-29(7,8)33-26)19-20-31-34(27(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,19-21H2,1-8H3/t23-,26+/m1/s1.
What are the key properties of 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one?
3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one has a molecular weight of 482.74 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylbutan-2-one is sourced from PubChem (CID 14569029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).