calcium;2-ethoxyacetaldehyde;hydride

C4H10CaO2 — CID 173410771

IUPACcalcium;2-ethoxyacetaldehyde;hydride
SMILESCCOCC=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8O2.Ca.2H/c1-2-6-4-3-5;;;/h3H,2,4H2,1H3;;;/q;+2;2*-1
InChIKeySIISYPCIJZCYAZ-UHFFFAOYSA-N
MW130.20 g/mol
LogP0.07
Rot. Bonds3

About calcium;2-ethoxyacetaldehyde;hydride

calcium;2-ethoxyacetaldehyde;hydride (PubChem CID 173410771) has the molecular formula C4H10CaO2 and a molecular weight of 130.20 g/mol. Its IUPAC name is calcium;2-ethoxyacetaldehyde;hydride.

Molecular Properties

Compound Namecalcium;2-ethoxyacetaldehyde;hydride
PubChem CID173410771
Molecular FormulaC4H10CaO2
Molecular Weight130.20 g/mol
Exact Mass130.03
IUPAC Namecalcium;2-ethoxyacetaldehyde;hydride
SMILESCCOCC=O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8O2.Ca.2H/c1-2-6-4-3-5;;;/h3H,2,4H2,1H3;;;/q;+2;2*-1
InChIKeySIISYPCIJZCYAZ-UHFFFAOYSA-N
XLogP0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.20
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-diethoxyethoxy)acetaldehyde
CID 15582210
calcium;sodium;ethoxyethane;hydride
CID 173354921
2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
CID 163400108
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
strontium;ethoxyethane;hydride
CID 174808757
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde
CID 156646019
2-ethoxyethylideneazanium chloride
CID 172780490
ethoxyethane
CID 18694919

Frequently Asked Questions

What is the IUPAC name of calcium;2-ethoxyacetaldehyde;hydride?
The IUPAC name of calcium;2-ethoxyacetaldehyde;hydride (CID 173410771) is calcium;2-ethoxyacetaldehyde;hydride.
What is the SMILES notation for calcium;2-ethoxyacetaldehyde;hydride?
The canonical SMILES for calcium;2-ethoxyacetaldehyde;hydride is CCOCC=O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-ethoxyacetaldehyde;hydride?
The InChIKey is SIISYPCIJZCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ca.2H/c1-2-6-4-3-5;;;/h3H,2,4H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;2-ethoxyacetaldehyde;hydride?
calcium;2-ethoxyacetaldehyde;hydride has a molecular weight of 130.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-ethoxyacetaldehyde;hydride is sourced from PubChem (CID 173410771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).