2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde

C16H32O4Si — CID 11109894

IUPAC2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde
SMILESCC(C)[Si](O[C@@H]1CCCO[C@H]1OCC=O)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-12(2)21(13(3)4,14(5)6)20-15-8-7-10-18-16(15)19-11-9-17/h9,12-16H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1
InChIKeyJQQINIMLVKRBNS-CVEARBPZSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds8

About 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde

2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde (PubChem CID 11109894) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde
PubChem CID11109894
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde
SMILESCC(C)[Si](O[C@@H]1CCCO[C@H]1OCC=O)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-12(2)21(13(3)4,14(5)6)20-15-8-7-10-18-16(15)19-11-9-17/h9,12-16H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1
InChIKeyJQQINIMLVKRBNS-CVEARBPZSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde?
The IUPAC name of 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde (CID 11109894) is 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde is CC(C)[Si](O[C@@H]1CCCO[C@H]1OCC=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde?
The InChIKey is JQQINIMLVKRBNS-CVEARBPZSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-12(2)21(13(3)4,14(5)6)20-15-8-7-10-18-16(15)19-11-9-17/h9,12-16H,7-8,10-11H2,1-6H3/t15-,16+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde?
2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyacetaldehyde is sourced from PubChem (CID 11109894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).