disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate

C11H22Na2O5 — CID 134896706

IUPACdisodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
SMILES[Na+].[Na+].[O-]CCCCCOCCOCCOCC[O-]
InChIInChI=1S/C11H22O5.2Na/c12-4-2-1-3-6-14-8-10-16-11-9-15-7-5-13;;/h1-11H2;;/q-2;2*+1
InChIKeyVZCNGJMFBYESCX-UHFFFAOYSA-N
MW280.27 g/mol
LogP-7.06
Rot. Bonds13

About disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate

disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate (PubChem CID 134896706) has the molecular formula C11H22Na2O5 and a molecular weight of 280.27 g/mol. Its IUPAC name is disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate.

Molecular Properties

Compound Namedisodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
PubChem CID134896706
Molecular FormulaC11H22Na2O5
Molecular Weight280.27 g/mol
Exact Mass280.13
IUPAC Namedisodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
SMILES[Na+].[Na+].[O-]CCCCCOCCOCCOCC[O-]
InChIInChI=1S/C11H22O5.2Na/c12-4-2-1-3-6-14-8-10-16-11-9-15-7-5-13;;/h1-11H2;;/q-2;2*+1
InChIKeyVZCNGJMFBYESCX-UHFFFAOYSA-N
XLogP-7.06
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 5-7.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
CID 134883757
sodium 2-(2-ethoxyethoxy)ethanolate
CID 23709816
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
barium(2+);bis(2-butoxyethanolate)
CID 19598526
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
CID 159366457
sodium 2-(2-hydroxyethoxy)ethanolate
CID 23668373
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279

Frequently Asked Questions

What is the IUPAC name of disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate?
The IUPAC name of disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate (CID 134896706) is disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate.
What is the SMILES notation for disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate?
The canonical SMILES for disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate is [Na+].[Na+].[O-]CCCCCOCCOCCOCC[O-].
What is the InChIKey of disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate?
The InChIKey is VZCNGJMFBYESCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5.2Na/c12-4-2-1-3-6-14-8-10-16-11-9-15-7-5-13;;/h1-11H2;;/q-2;2*+1.
What are the key properties of disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate?
disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate has a molecular weight of 280.27 g/mol, XLogP of -7.06, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate is sourced from PubChem (CID 134896706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).