calcium;hydride;2-hydroperoxyethanol

C2H8CaO3 — CID 174969013

IUPACcalcium;hydride;2-hydroperoxyethanol
SMILESOCCOO.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H6O3.Ca.2H/c3-1-2-5-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyJHMZCZSDHKOFJH-UHFFFAOYSA-N
MW120.16 g/mol
LogP-0.69
Rot. Bonds2

About calcium;hydride;2-hydroperoxyethanol

calcium;hydride;2-hydroperoxyethanol (PubChem CID 174969013) has the molecular formula C2H8CaO3 and a molecular weight of 120.16 g/mol. Its IUPAC name is calcium;hydride;2-hydroperoxyethanol.

Molecular Properties

Compound Namecalcium;hydride;2-hydroperoxyethanol
PubChem CID174969013
Molecular FormulaC2H8CaO3
Molecular Weight120.16 g/mol
Exact Mass120.01
IUPAC Namecalcium;hydride;2-hydroperoxyethanol
SMILESOCCOO.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H6O3.Ca.2H/c3-1-2-5-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyJHMZCZSDHKOFJH-UHFFFAOYSA-N
XLogP-0.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze calcium;hydride;2-hydroperoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
calcium;ethane-1,2-diol;hydride
CID 173241210
2-(trioxidanyl)ethanol
CID 123836942
1,3-dihydroperoxypropane
CID 87409456
calcium;hydride;2-propoxyethanol
CID 174734380
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-hydroperoxyethanol?
The IUPAC name of calcium;hydride;2-hydroperoxyethanol (CID 174969013) is calcium;hydride;2-hydroperoxyethanol.
What is the SMILES notation for calcium;hydride;2-hydroperoxyethanol?
The canonical SMILES for calcium;hydride;2-hydroperoxyethanol is OCCOO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-hydroperoxyethanol?
The InChIKey is JHMZCZSDHKOFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.Ca.2H/c3-1-2-5-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-hydroperoxyethanol?
calcium;hydride;2-hydroperoxyethanol has a molecular weight of 120.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-hydroperoxyethanol is sourced from PubChem (CID 174969013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).