[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol

C13H26O4Si — CID 58359314

IUPAC[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](CO)OCC[C@@]12CO2
InChIInChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h11-12,14H,4-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyMLDMFYHAJGWIAA-JHJVBQTASA-N
MW274.43 g/mol
LogP1.93
Rot. Bonds6

About [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol

[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol (PubChem CID 58359314) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol.

Molecular Properties

Compound Name[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol
PubChem CID58359314
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](CO)OCC[C@@]12CO2
InChIInChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h11-12,14H,4-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyMLDMFYHAJGWIAA-JHJVBQTASA-N
XLogP1.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol 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 [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol?
The IUPAC name of [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol (CID 58359314) is [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol.
What is the SMILES notation for [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol?
The canonical SMILES for [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol is CC[Si](CC)(CC)O[C@@H]1[C@@H](CO)OCC[C@@]12CO2.
What is the InChIKey of [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol?
The InChIKey is MLDMFYHAJGWIAA-JHJVBQTASA-N. The full InChI is InChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h11-12,14H,4-10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol?
[(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol has a molecular weight of 274.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octan-5-yl]methanol is sourced from PubChem (CID 58359314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).