2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde

C20H35NO4Si — CID 51051381

IUPAC2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
SMILESCc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC=O)O2)co1
InChIInChI=1S/C20H35NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-10-17(8-9-22)24-20(11-18)19-12-23-16(7)21-19/h9,12-15,17-18,20H,8,10-11H2,1-7H3/t17-,18+,20-/m1/s1
InChIKeyHVLJBUHNHBTKPN-WSTZPKSXSA-N
MW381.59 g/mol
LogP5.35
Rot. Bonds8

About 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde

2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde (PubChem CID 51051381) has the molecular formula C20H35NO4Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
PubChem CID51051381
Molecular FormulaC20H35NO4Si
Molecular Weight381.59 g/mol
Exact Mass381.23
IUPAC Name2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
SMILESCc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC=O)O2)co1
InChIInChI=1S/C20H35NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-10-17(8-9-22)24-20(11-18)19-12-23-16(7)21-19/h9,12-15,17-18,20H,8,10-11H2,1-7H3/t17-,18+,20-/m1/s1
InChIKeyHVLJBUHNHBTKPN-WSTZPKSXSA-N
XLogP5.35
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde (CID 51051381) is 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde is Cc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](CC=O)O2)co1.
What is the InChIKey of 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
The InChIKey is HVLJBUHNHBTKPN-WSTZPKSXSA-N. The full InChI is InChI=1S/C20H35NO4Si/c1-13(2)26(14(3)4,15(5)6)25-18-10-17(8-9-22)24-20(11-18)19-12-23-16(7)21-19/h9,12-15,17-18,20H,8,10-11H2,1-7H3/t17-,18+,20-/m1/s1.
What are the key properties of 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde?
2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde has a molecular weight of 381.59 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 51051381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).