(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate

C10H11O2- — CID 12545700

IUPAC(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
SMILESCCO/C([O-])=C/C=C1C=CC=C1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h3-8,11H,2H2,1H3/p-1/b10-8+
InChIKeyUXCXTXUZFGLKRX-CSKARUKUSA-M
MW163.20 g/mol
LogP1.28
Rot. Bonds3

About (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate

(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate (PubChem CID 12545700) has the molecular formula C10H11O2- and a molecular weight of 163.20 g/mol. Its IUPAC name is (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate.

Molecular Properties

Compound Name(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
PubChem CID12545700
Molecular FormulaC10H11O2-
Molecular Weight163.20 g/mol
Exact Mass163.08
IUPAC Name(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
SMILESCCO/C([O-])=C/C=C1C=CC=C1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h3-8,11H,2H2,1H3/p-1/b10-8+
InChIKeyUXCXTXUZFGLKRX-CSKARUKUSA-M
XLogP1.28
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.28
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

Cyclopenta-2,4-dien-1-ylidenemethyl acetate
CID 5324878
5-(Methoxymethylidene)cyclopenta-1,3-diene
CID 13428392
2-(4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-2H-1,3-dioxole
CID 101902360
2-Cyclopenta-2,4-dien-1-ylidene-1,3-dioxolane
CID 641550
Cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
CID 11987089
Lithium carbomethoxycyclopentadienide
CID 129671640
Sodium carbomethoxycyclopentadienide
CID 23718598
5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
Cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 12481623
(4-Cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
CID 13145380
Sodium carboethoxycyclopentadienide
CID 23697899
Cyclopenta-2,4-dien-1-ylidene-[(2-methylpropan-2-yl)oxy]methanolate
CID 88096468

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate?
The IUPAC name of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate (CID 12545700) is (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate.
What is the SMILES notation for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate?
The canonical SMILES for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate is CCO/C([O-])=C/C=C1C=CC=C1.
What is the InChIKey of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate?
The InChIKey is UXCXTXUZFGLKRX-CSKARUKUSA-M. The full InChI is InChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h3-8,11H,2H2,1H3/p-1/b10-8+.
What are the key properties of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate?
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate has a molecular weight of 163.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate is sourced from PubChem (CID 12545700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).