2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde

C11H16O7 — CID 88963251

IUPAC2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde
SMILESO=CCOC1C[C@H](OCC=O)[C@H](OCC=O)CO1
InChIInChI=1S/C11H16O7/c12-1-4-15-9-7-11(17-6-3-14)18-8-10(9)16-5-2-13/h1-3,9-11H,4-8H2/t9-,10+,11?/m0/s1
InChIKeyYNSXIARSSFCZHH-MTULOOOASA-N
MW260.24 g/mol
LogP-0.88
Rot. Bonds9

About 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde

2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde (PubChem CID 88963251) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde
PubChem CID88963251
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde
SMILESO=CCOC1C[C@H](OCC=O)[C@H](OCC=O)CO1
InChIInChI=1S/C11H16O7/c12-1-4-15-9-7-11(17-6-3-14)18-8-10(9)16-5-2-13/h1-3,9-11H,4-8H2/t9-,10+,11?/m0/s1
InChIKeyYNSXIARSSFCZHH-MTULOOOASA-N
XLogP-0.88
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde?
The IUPAC name of 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde (CID 88963251) is 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde is O=CCOC1C[C@H](OCC=O)[C@H](OCC=O)CO1.
What is the InChIKey of 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde?
The InChIKey is YNSXIARSSFCZHH-MTULOOOASA-N. The full InChI is InChI=1S/C11H16O7/c12-1-4-15-9-7-11(17-6-3-14)18-8-10(9)16-5-2-13/h1-3,9-11H,4-8H2/t9-,10+,11?/m0/s1.
What are the key properties of 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde?
2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde has a molecular weight of 260.24 g/mol, XLogP of -0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-2,5-bis(2-oxoethoxy)oxan-4-yl]oxyacetaldehyde is sourced from PubChem (CID 88963251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).