2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde

C15H34O5Si3 — CID 160647741

IUPAC2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)OCCCC1(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-14(19-22(4,5)6)11-10-12-17-15(14,13-16)20-23(7,8)9/h13H,10-12H2,1-9H3
InChIKeyRJZXMESLCGWVRW-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.94
Rot. Bonds7

About 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde

2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde (PubChem CID 160647741) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde.

Molecular Properties

Compound Name2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde
PubChem CID160647741
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Name2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)OCCCC1(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-14(19-22(4,5)6)11-10-12-17-15(14,13-16)20-23(7,8)9/h13H,10-12H2,1-9H3
InChIKeyRJZXMESLCGWVRW-UHFFFAOYSA-N
XLogP3.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde?
The IUPAC name of 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde (CID 160647741) is 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde.
What is the SMILES notation for 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde?
The canonical SMILES for 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde is C[Si](C)(C)OC1(C=O)OCCCC1(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde?
The InChIKey is RJZXMESLCGWVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-21(2,3)18-14(19-22(4,5)6)11-10-12-17-15(14,13-16)20-23(7,8)9/h13H,10-12H2,1-9H3.
What are the key properties of 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde?
2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde has a molecular weight of 378.69 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tris(trimethylsilyloxy)oxane-2-carbaldehyde is sourced from PubChem (CID 160647741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).