(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde

C13H24O4Si — CID 58359316

IUPAC(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](C=O)OCC[C@@]12CO2
InChIInChI=1S/C13H24O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h9,11-12H,4-8,10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyZKHHUUVOKORPMO-JHJVBQTASA-N
MW272.42 g/mol
LogP2.13
Rot. Bonds6

About (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde

(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde (PubChem CID 58359316) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde.

Molecular Properties

Compound Name(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
PubChem CID58359316
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](C=O)OCC[C@@]12CO2
InChIInChI=1S/C13H24O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h9,11-12H,4-8,10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyZKHHUUVOKORPMO-JHJVBQTASA-N
XLogP2.13
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde 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,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde?
The IUPAC name of (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde (CID 58359316) is (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde.
What is the SMILES notation for (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde?
The canonical SMILES for (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde is CC[Si](CC)(CC)O[C@@H]1[C@@H](C=O)OCC[C@@]12CO2.
What is the InChIKey of (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde?
The InChIKey is ZKHHUUVOKORPMO-JHJVBQTASA-N. The full InChI is InChI=1S/C13H24O4Si/c1-4-18(5-2,6-3)17-12-11(9-14)15-8-7-13(12)10-16-13/h9,11-12H,4-8,10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde?
(3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde has a molecular weight of 272.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-triethylsilyloxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde is sourced from PubChem (CID 58359316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).