sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate

C8H9NaO2 — CID 23697899

IUPACsodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
SMILESCCOC([O-])=C1C=CC=C1.[Na+]
InChIInChI=1S/C8H10O2.Na/c1-2-10-8(9)7-5-3-4-6-7;/h3-6,9H,2H2,1H3;/q;+1/p-1
InChIKeyFZAWZZHDPQLCKJ-UHFFFAOYSA-M
MW160.15 g/mol
LogP-2.28
Rot. Bonds2

About sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate

sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate (PubChem CID 23697899) has the molecular formula C8H9NaO2 and a molecular weight of 160.15 g/mol. Its IUPAC name is sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate.

Molecular Properties

Compound Namesodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
PubChem CID23697899
Molecular FormulaC8H9NaO2
Molecular Weight160.15 g/mol
Exact Mass160.05
IUPAC Namesodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
SMILESCCOC([O-])=C1C=CC=C1.[Na+]
InChIInChI=1S/C8H10O2.Na/c1-2-10-8(9)7-5-3-4-6-7;/h3-6,9H,2H2,1H3;/q;+1/p-1
InChIKeyFZAWZZHDPQLCKJ-UHFFFAOYSA-M
XLogP-2.28
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
CID 159636847
ethoxy(triazol-4-ylidene)methanolate
CID 102106143
[6-(3-chloro-4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-ethoxymethanolate
CID 2112375
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
CID 158604090
cyclopenta-1,3-diene;(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate;iron(2+)
CID 50909408
sodium 1-ethoxy-N-phenylmethanimidate
CID 23666386
ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate
CID 143685503
copper(1+);1-ethoxyethenolate
CID 73187688
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714
(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate
CID 54688387
cyclopenta-2,4-dien-1-ylidene-[(5Z)-5-[[di(propan-2-yl)amino]-oxidomethylidene]cyclopenta-1,3-dien-1-yl]oxymethanolate
CID 146164260

Frequently Asked Questions

What is the IUPAC name of sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate?
The IUPAC name of sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate (CID 23697899) is sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate.
What is the SMILES notation for sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate?
The canonical SMILES for sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate is CCOC([O-])=C1C=CC=C1.[Na+].
What is the InChIKey of sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate?
The InChIKey is FZAWZZHDPQLCKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O2.Na/c1-2-10-8(9)7-5-3-4-6-7;/h3-6,9H,2H2,1H3;/q;+1/p-1.
What are the key properties of sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate?
sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate has a molecular weight of 160.15 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate is sourced from PubChem (CID 23697899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).