calcium;hydride;2-propoxyethanol

C5H14CaO2 — CID 174734380

IUPACcalcium;hydride;2-propoxyethanol
SMILESCCCOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H12O2.Ca.2H/c1-2-4-7-5-3-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyDVBPEYGCWSDFET-UHFFFAOYSA-N
MW146.24 g/mol
LogP0.25
Rot. Bonds4

About calcium;hydride;2-propoxyethanol

calcium;hydride;2-propoxyethanol (PubChem CID 174734380) has the molecular formula C5H14CaO2 and a molecular weight of 146.24 g/mol. Its IUPAC name is calcium;hydride;2-propoxyethanol.

Molecular Properties

Compound Namecalcium;hydride;2-propoxyethanol
PubChem CID174734380
Molecular FormulaC5H14CaO2
Molecular Weight146.24 g/mol
Exact Mass146.06
IUPAC Namecalcium;hydride;2-propoxyethanol
SMILESCCCOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H12O2.Ca.2H/c1-2-4-7-5-3-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyDVBPEYGCWSDFET-UHFFFAOYSA-N
XLogP0.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
2-butoxyethanol
CID 8133
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-propoxyethanol?
The IUPAC name of calcium;hydride;2-propoxyethanol (CID 174734380) is calcium;hydride;2-propoxyethanol.
What is the SMILES notation for calcium;hydride;2-propoxyethanol?
The canonical SMILES for calcium;hydride;2-propoxyethanol is CCCOCCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-propoxyethanol?
The InChIKey is DVBPEYGCWSDFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Ca.2H/c1-2-4-7-5-3-6;;;/h6H,2-5H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-propoxyethanol?
calcium;hydride;2-propoxyethanol has a molecular weight of 146.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-propoxyethanol is sourced from PubChem (CID 174734380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).