disodium;2-(2-butoxyethoxy)ethyl phosphate

C8H17Na2O6P — CID 56841520

IUPACdisodium;2-(2-butoxyethoxy)ethyl phosphate
SMILESCCCCOCCOCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H19O6P.2Na/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2
InChIKeyDSBYJZUBAROODD-UHFFFAOYSA-L
MW286.17 g/mol
LogP-6.33
Rot. Bonds10

About disodium;2-(2-butoxyethoxy)ethyl phosphate

disodium;2-(2-butoxyethoxy)ethyl phosphate (PubChem CID 56841520) has the molecular formula C8H17Na2O6P and a molecular weight of 286.17 g/mol. Its IUPAC name is disodium;2-(2-butoxyethoxy)ethyl phosphate.

Molecular Properties

Compound Namedisodium;2-(2-butoxyethoxy)ethyl phosphate
PubChem CID56841520
Molecular FormulaC8H17Na2O6P
Molecular Weight286.17 g/mol
Exact Mass286.06
IUPAC Namedisodium;2-(2-butoxyethoxy)ethyl phosphate
SMILESCCCCOCCOCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H19O6P.2Na/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2
InChIKeyDSBYJZUBAROODD-UHFFFAOYSA-L
XLogP-6.33
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 5-6.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;2-(2-butoxyethoxy)ethyl phosphate?
The IUPAC name of disodium;2-(2-butoxyethoxy)ethyl phosphate (CID 56841520) is disodium;2-(2-butoxyethoxy)ethyl phosphate.
What is the SMILES notation for disodium;2-(2-butoxyethoxy)ethyl phosphate?
The canonical SMILES for disodium;2-(2-butoxyethoxy)ethyl phosphate is CCCCOCCOCCOP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(2-butoxyethoxy)ethyl phosphate?
The InChIKey is DSBYJZUBAROODD-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19O6P.2Na/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;2-(2-butoxyethoxy)ethyl phosphate?
disodium;2-(2-butoxyethoxy)ethyl phosphate has a molecular weight of 286.17 g/mol, XLogP of -6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(2-butoxyethoxy)ethyl phosphate is sourced from PubChem (CID 56841520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).