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

C17H34O4Si — CID 42600164

IUPAC2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESC[C@@H](C[C@H]1C[C@@H](CC=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)11-15-12-14(9-10-18)19-17(5,6)20-15/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m0/s1
InChIKeyVRUUSSQYAOQRJB-ZNMIVQPWSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds6

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

2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 42600164) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID42600164
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
SMILESC[C@@H](C[C@H]1C[C@@H](CC=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)11-15-12-14(9-10-18)19-17(5,6)20-15/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m0/s1
InChIKeyVRUUSSQYAOQRJB-ZNMIVQPWSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
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'}

Analyze 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde 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-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde (CID 42600164) is 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is C[C@@H](C[C@H]1C[C@@H](CC=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is VRUUSSQYAOQRJB-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)11-15-12-14(9-10-18)19-17(5,6)20-15/h10,13-15H,9,11-12H2,1-8H3/t13-,14+,15-/m0/s1.
What are the key properties of 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 42600164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).