disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate

C18H36Na2O7 — CID 134883757

IUPACdisodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
SMILES[Na+].[Na+].[O-]CCCCCCCCOCCOCCOCCOCCOCC[O-]
InChIInChI=1S/C18H36O7.2Na/c19-7-5-3-1-2-4-6-9-21-11-13-23-15-17-25-18-16-24-14-12-22-10-8-20;;/h1-18H2;;/q-2;2*+1
InChIKeyUKCCSXUDFCQEQG-UHFFFAOYSA-N
MW410.46 g/mol
LogP-5.86
Rot. Bonds22

About disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate

disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate (PubChem CID 134883757) has the molecular formula C18H36Na2O7 and a molecular weight of 410.46 g/mol. Its IUPAC name is disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate.

Molecular Properties

Compound Namedisodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
PubChem CID134883757
Molecular FormulaC18H36Na2O7
Molecular Weight410.46 g/mol
Exact Mass410.23
IUPAC Namedisodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
SMILES[Na+].[Na+].[O-]CCCCCCCCOCCOCCOCCOCCOCC[O-]
InChIInChI=1S/C18H36O7.2Na/c19-7-5-3-1-2-4-6-9-21-11-13-23-15-17-25-18-16-24-14-12-22-10-8-20;;/h1-18H2;;/q-2;2*+1
InChIKeyUKCCSXUDFCQEQG-UHFFFAOYSA-N
XLogP-5.86
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 5-5.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
CID 134896706
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;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate?
The IUPAC name of disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate (CID 134883757) is disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate.
What is the SMILES notation for disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate?
The canonical SMILES for disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate is [Na+].[Na+].[O-]CCCCCCCCOCCOCCOCCOCCOCC[O-].
What is the InChIKey of disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate?
The InChIKey is UKCCSXUDFCQEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O7.2Na/c19-7-5-3-1-2-4-6-9-21-11-13-23-15-17-25-18-16-24-14-12-22-10-8-20;;/h1-18H2;;/q-2;2*+1.
What are the key properties of disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate?
disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate has a molecular weight of 410.46 g/mol, XLogP of -5.86, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate is sourced from PubChem (CID 134883757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).