2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde

C14H26O4Si — CID 11680809

IUPAC2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H](CC=O)O1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-13-9-11(16)8-12(18-13)6-7-15/h7,12-13H,6,8-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyJRTKCKJUAUDVHO-STQMWFEESA-N
MW286.44 g/mol
LogP2.71
Rot. Bonds5

About 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde

2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde (PubChem CID 11680809) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde
PubChem CID11680809
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H](CC=O)O1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-13-9-11(16)8-12(18-13)6-7-15/h7,12-13H,6,8-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyJRTKCKJUAUDVHO-STQMWFEESA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.71
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-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-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

Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
CID 23248665
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]acetaldehyde
CID 60088515
2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde
CID 11054822
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propan-2-one
CID 11737367
2-[(2S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetaldehyde
CID 16220665
2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetaldehyde
CID 101768734

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde (CID 11680809) is 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H](CC=O)O1.
What is the InChIKey of 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde?
The InChIKey is JRTKCKJUAUDVHO-STQMWFEESA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-13-9-11(16)8-12(18-13)6-7-15/h7,12-13H,6,8-10H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde?
2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde has a molecular weight of 286.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde is sourced from PubChem (CID 11680809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).