sodium 2-ethoxycarbonylcyclopenten-1-olate

C8H11NaO3 — CID 23678022

IUPACsodium 2-ethoxycarbonylcyclopenten-1-olate
SMILESCCOC(=O)C1=C([O-])CCC1.[Na+]
InChIInChI=1S/C8H12O3.Na/c1-2-11-8(10)6-4-3-5-7(6)9;/h9H,2-5H2,1H3;/q;+1/p-1
InChIKeyAZJZXEOOUJQNPS-UHFFFAOYSA-M
MW178.16 g/mol
LogP-2.65
Rot. Bonds2

About sodium 2-ethoxycarbonylcyclopenten-1-olate

sodium 2-ethoxycarbonylcyclopenten-1-olate (PubChem CID 23678022) has the molecular formula C8H11NaO3 and a molecular weight of 178.16 g/mol. Its IUPAC name is sodium 2-ethoxycarbonylcyclopenten-1-olate.

Molecular Properties

Compound Namesodium 2-ethoxycarbonylcyclopenten-1-olate
PubChem CID23678022
Molecular FormulaC8H11NaO3
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Namesodium 2-ethoxycarbonylcyclopenten-1-olate
SMILESCCOC(=O)C1=C([O-])CCC1.[Na+]
InChIInChI=1S/C8H12O3.Na/c1-2-11-8(10)6-4-3-5-7(6)9;/h9H,2-5H2,1H3;/q;+1/p-1
InChIKeyAZJZXEOOUJQNPS-UHFFFAOYSA-M
XLogP-2.65
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
3-butyl-2(5H)-furanone
CID 11768654
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690
Pestalafuranone C
CID 139585320
2(5H)Furanone, 3-butyl-4-hydroxy-
CID 54676120
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
Ficifuranone A
CID 139584106
3-Butyl-4-methylfuran-2,5-dione
CID 298846
Ethyl cyclopent-1-enecarboxylate
CID 275610
4-Bromo-3-butyl-5-methyl-2(5h)-furanone
CID 11776138

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethoxycarbonylcyclopenten-1-olate?
The IUPAC name of sodium 2-ethoxycarbonylcyclopenten-1-olate (CID 23678022) is sodium 2-ethoxycarbonylcyclopenten-1-olate.
What is the SMILES notation for sodium 2-ethoxycarbonylcyclopenten-1-olate?
The canonical SMILES for sodium 2-ethoxycarbonylcyclopenten-1-olate is CCOC(=O)C1=C([O-])CCC1.[Na+].
What is the InChIKey of sodium 2-ethoxycarbonylcyclopenten-1-olate?
The InChIKey is AZJZXEOOUJQNPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3.Na/c1-2-11-8(10)6-4-3-5-7(6)9;/h9H,2-5H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-ethoxycarbonylcyclopenten-1-olate?
sodium 2-ethoxycarbonylcyclopenten-1-olate has a molecular weight of 178.16 g/mol, XLogP of -2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethoxycarbonylcyclopenten-1-olate is sourced from PubChem (CID 23678022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).