(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate

C12H15O2- — CID 135042523

IUPAC(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate
SMILESCCO/C([O-])=C/C=C1\C=CC(CC)=C1
InChIInChI=1S/C12H16O2/c1-3-10-5-6-11(9-10)7-8-12(13)14-4-2/h5-9,13H,3-4H2,1-2H3/p-1/b11-7+,12-8+
InChIKeyIMUMRJZYMUUANE-MKICQXMISA-M
MW191.25 g/mol
LogP2.06
Rot. Bonds4

About (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate

(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate (PubChem CID 135042523) has the molecular formula C12H15O2- and a molecular weight of 191.25 g/mol. Its IUPAC name is (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate.

Molecular Properties

Compound Name(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate
PubChem CID135042523
Molecular FormulaC12H15O2-
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate
SMILESCCO/C([O-])=C/C=C1\C=CC(CC)=C1
InChIInChI=1S/C12H16O2/c1-3-10-5-6-11(9-10)7-8-12(13)14-4-2/h5-9,13H,3-4H2,1-2H3/p-1/b11-7+,12-8+
InChIKeyIMUMRJZYMUUANE-MKICQXMISA-M
XLogP2.06
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate?
The IUPAC name of (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate (CID 135042523) is (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate.
What is the SMILES notation for (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate?
The canonical SMILES for (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate is CCO/C([O-])=C/C=C1\C=CC(CC)=C1.
What is the InChIKey of (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate?
The InChIKey is IMUMRJZYMUUANE-MKICQXMISA-M. The full InChI is InChI=1S/C12H16O2/c1-3-10-5-6-11(9-10)7-8-12(13)14-4-2/h5-9,13H,3-4H2,1-2H3/p-1/b11-7+,12-8+.
What are the key properties of (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate?
(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate has a molecular weight of 191.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate is sourced from PubChem (CID 135042523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).