lithium;hydride;2-(2-methoxyethoxy)acetaldehyde

C5H11LiO3 — CID 173062024

IUPAClithium;hydride;2-(2-methoxyethoxy)acetaldehyde
SMILESCOCCOCC=O.[H-].[Li+]
InChIInChI=1S/C5H10O3.Li.H/c1-7-4-5-8-3-2-6;;/h2H,3-5H2,1H3;;/q;+1;-1
InChIKeyQUNBMKLVAGINKH-UHFFFAOYSA-N
MW126.08 g/mol
LogP-3.04
Rot. Bonds5

About lithium;hydride;2-(2-methoxyethoxy)acetaldehyde

lithium;hydride;2-(2-methoxyethoxy)acetaldehyde (PubChem CID 173062024) has the molecular formula C5H11LiO3 and a molecular weight of 126.08 g/mol. Its IUPAC name is lithium;hydride;2-(2-methoxyethoxy)acetaldehyde.

Molecular Properties

Compound Namelithium;hydride;2-(2-methoxyethoxy)acetaldehyde
PubChem CID173062024
Molecular FormulaC5H11LiO3
Molecular Weight126.08 g/mol
Exact Mass126.09
IUPAC Namelithium;hydride;2-(2-methoxyethoxy)acetaldehyde
SMILESCOCCOCC=O.[H-].[Li+]
InChIInChI=1S/C5H10O3.Li.H/c1-7-4-5-8-3-2-6;;/h2H,3-5H2,1H3;;/q;+1;-1
InChIKeyQUNBMKLVAGINKH-UHFFFAOYSA-N
XLogP-3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-(2-methoxyethoxy)acetaldehyde?
The IUPAC name of lithium;hydride;2-(2-methoxyethoxy)acetaldehyde (CID 173062024) is lithium;hydride;2-(2-methoxyethoxy)acetaldehyde.
What is the SMILES notation for lithium;hydride;2-(2-methoxyethoxy)acetaldehyde?
The canonical SMILES for lithium;hydride;2-(2-methoxyethoxy)acetaldehyde is COCCOCC=O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-(2-methoxyethoxy)acetaldehyde?
The InChIKey is QUNBMKLVAGINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.Li.H/c1-7-4-5-8-3-2-6;;/h2H,3-5H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;2-(2-methoxyethoxy)acetaldehyde?
lithium;hydride;2-(2-methoxyethoxy)acetaldehyde has a molecular weight of 126.08 g/mol, XLogP of -3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-(2-methoxyethoxy)acetaldehyde is sourced from PubChem (CID 173062024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).