sodium 4-(2-ethenoxyethoxy)benzoate

C11H11NaO4 — CID 66850784

IUPACsodium 4-(2-ethenoxyethoxy)benzoate
SMILESC=COCCOc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C11H12O4.Na/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13;/h2-6H,1,7-8H2,(H,12,13);/q;+1/p-1
InChIKeyCOFDOXFNGFQEJH-UHFFFAOYSA-M
MW230.19 g/mol
LogP-2.41
Rot. Bonds6

About sodium 4-(2-ethenoxyethoxy)benzoate

sodium 4-(2-ethenoxyethoxy)benzoate (PubChem CID 66850784) has the molecular formula C11H11NaO4 and a molecular weight of 230.19 g/mol. Its IUPAC name is sodium 4-(2-ethenoxyethoxy)benzoate.

Molecular Properties

Compound Namesodium 4-(2-ethenoxyethoxy)benzoate
PubChem CID66850784
Molecular FormulaC11H11NaO4
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Namesodium 4-(2-ethenoxyethoxy)benzoate
SMILESC=COCCOc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C11H12O4.Na/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13;/h2-6H,1,7-8H2,(H,12,13);/q;+1/p-1
InChIKeyCOFDOXFNGFQEJH-UHFFFAOYSA-M
XLogP-2.41
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
4-undec-10-enoxybenzoate
CID 7009276
magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
CID 173129302
1,5-bis[4-(2-ethenoxyethoxy)phenyl]penta-1,4-dien-3-one
CID 54454949
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(2-ethenoxyethoxy)benzoate
CID 15390036
[4-(2-ethenoxyethoxy)phenyl]-phenyldiazene
CID 86210096
N-[4-(2-ethenoxyethoxy)phenyl]pentanamide
CID 102477298
4-[2-(diethylazaniumyl)ethoxy]benzoate
CID 42311415
3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
CID 123795084
disodium;ethene;terephthalate
CID 175257755
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783

Frequently Asked Questions

What is the IUPAC name of sodium 4-(2-ethenoxyethoxy)benzoate?
The IUPAC name of sodium 4-(2-ethenoxyethoxy)benzoate (CID 66850784) is sodium 4-(2-ethenoxyethoxy)benzoate.
What is the SMILES notation for sodium 4-(2-ethenoxyethoxy)benzoate?
The canonical SMILES for sodium 4-(2-ethenoxyethoxy)benzoate is C=COCCOc1ccc(C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-(2-ethenoxyethoxy)benzoate?
The InChIKey is COFDOXFNGFQEJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O4.Na/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13;/h2-6H,1,7-8H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 4-(2-ethenoxyethoxy)benzoate?
sodium 4-(2-ethenoxyethoxy)benzoate has a molecular weight of 230.19 g/mol, XLogP of -2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(2-ethenoxyethoxy)benzoate is sourced from PubChem (CID 66850784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).