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

C16H34O4Si — CID 11404374

IUPAC2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](CCO)O1
InChIInChI=1S/C16H34O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h13-14,17H,8-12H2,1-7H3/t13-,14+/m0/s1
InChIKeyKTRKPAAQPZFUEW-UONOGXRCSA-N
MW318.53 g/mol
LogP3.69
Rot. Bonds6

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

2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (PubChem CID 11404374) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
PubChem CID11404374
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](CCO)O1
InChIInChI=1S/C16H34O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h13-14,17H,8-12H2,1-7H3/t13-,14+/m0/s1
InChIKeyKTRKPAAQPZFUEW-UONOGXRCSA-N
XLogP3.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol 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 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (CID 11404374) is 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is CC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@H](CCO)O1.
What is the InChIKey of 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is KTRKPAAQPZFUEW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-15(2,3)21(6,7)18-11-9-14-12-13(8-10-17)19-16(4,5)20-14/h13-14,17H,8-12H2,1-7H3/t13-,14+/m0/s1.
What are the key properties of 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 318.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 11404374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).