calcium;2-(2-ethoxyethoxy)ethanol;hydride

C6H16CaO3 — CID 174899431

IUPACcalcium;2-(2-ethoxyethoxy)ethanol;hydride
SMILESCCOCCOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H14O3.Ca.2H/c1-2-8-5-6-9-4-3-7;;;/h7H,2-6H2,1H3;;;/q;+2;2*-1
InChIKeyWHQFTLXOTLKCRA-UHFFFAOYSA-N
MW176.27 g/mol
LogP-0.12
Rot. Bonds6

About calcium;2-(2-ethoxyethoxy)ethanol;hydride

calcium;2-(2-ethoxyethoxy)ethanol;hydride (PubChem CID 174899431) has the molecular formula C6H16CaO3 and a molecular weight of 176.27 g/mol. Its IUPAC name is calcium;2-(2-ethoxyethoxy)ethanol;hydride.

Molecular Properties

Compound Namecalcium;2-(2-ethoxyethoxy)ethanol;hydride
PubChem CID174899431
Molecular FormulaC6H16CaO3
Molecular Weight176.27 g/mol
Exact Mass176.07
IUPAC Namecalcium;2-(2-ethoxyethoxy)ethanol;hydride
SMILESCCOCCOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H14O3.Ca.2H/c1-2-8-5-6-9-4-3-7;;;/h7H,2-6H2,1H3;;;/q;+2;2*-1
InChIKeyWHQFTLXOTLKCRA-UHFFFAOYSA-N
XLogP-0.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
calcium;hydride;2-propoxyethanol
CID 174734380

Frequently Asked Questions

What is the IUPAC name of calcium;2-(2-ethoxyethoxy)ethanol;hydride?
The IUPAC name of calcium;2-(2-ethoxyethoxy)ethanol;hydride (CID 174899431) is calcium;2-(2-ethoxyethoxy)ethanol;hydride.
What is the SMILES notation for calcium;2-(2-ethoxyethoxy)ethanol;hydride?
The canonical SMILES for calcium;2-(2-ethoxyethoxy)ethanol;hydride is CCOCCOCCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-(2-ethoxyethoxy)ethanol;hydride?
The InChIKey is WHQFTLXOTLKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.Ca.2H/c1-2-8-5-6-9-4-3-7;;;/h7H,2-6H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;2-(2-ethoxyethoxy)ethanol;hydride?
calcium;2-(2-ethoxyethoxy)ethanol;hydride has a molecular weight of 176.27 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-(2-ethoxyethoxy)ethanol;hydride is sourced from PubChem (CID 174899431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).