pentasodium;ethene;pentaacetate

C14H23Na5O10 — CID 172708449

IUPACpentasodium;ethene;pentaacetate
SMILESC=C.C=C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5C2H4O2.2C2H4.5Na/c5*1-2(3)4;2*1-2;;;;;/h5*1H3,(H,3,4);2*1-2H2;;;;;/q;;;;;;;5*+1/p-5
InChIKeyDXKAPOOCYPYCRM-UHFFFAOYSA-I
MW466.28 g/mol
LogP-19.59
Rot. Bonds

About pentasodium;ethene;pentaacetate

pentasodium;ethene;pentaacetate (PubChem CID 172708449) has the molecular formula C14H23Na5O10 and a molecular weight of 466.28 g/mol. Its IUPAC name is pentasodium;ethene;pentaacetate.

Molecular Properties

Compound Namepentasodium;ethene;pentaacetate
PubChem CID172708449
Molecular FormulaC14H23Na5O10
Molecular Weight466.28 g/mol
Exact Mass466.08
IUPAC Namepentasodium;ethene;pentaacetate
SMILESC=C.C=C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5C2H4O2.2C2H4.5Na/c5*1-2(3)4;2*1-2;;;;;/h5*1H3,(H,3,4);2*1-2H2;;;;;/q;;;;;;;5*+1/p-5
InChIKeyDXKAPOOCYPYCRM-UHFFFAOYSA-I
XLogP-19.59
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 5-19.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
sodium;alumane;acetate
CID 173418045
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
disodium;acetic acid;diacetate
CID 173429672
disodium;acetate;chloride;trihydrate
CID 160847584
tetrasodium;acetic acid;tetraacetate
CID 175423347

Frequently Asked Questions

What is the IUPAC name of pentasodium;ethene;pentaacetate?
The IUPAC name of pentasodium;ethene;pentaacetate (CID 172708449) is pentasodium;ethene;pentaacetate.
What is the SMILES notation for pentasodium;ethene;pentaacetate?
The canonical SMILES for pentasodium;ethene;pentaacetate is C=C.C=C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;ethene;pentaacetate?
The InChIKey is DXKAPOOCYPYCRM-UHFFFAOYSA-I. The full InChI is InChI=1S/5C2H4O2.2C2H4.5Na/c5*1-2(3)4;2*1-2;;;;;/h5*1H3,(H,3,4);2*1-2H2;;;;;/q;;;;;;;5*+1/p-5.
What are the key properties of pentasodium;ethene;pentaacetate?
pentasodium;ethene;pentaacetate has a molecular weight of 466.28 g/mol, XLogP of -19.59, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;ethene;pentaacetate is sourced from PubChem (CID 172708449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).