cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate

C7H7O2- — CID 11987089

IUPACcyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
SMILESCOC([O-])=C1C=CC=C1
InChIInChI=1S/C7H8O2/c1-9-7(8)6-4-2-3-5-6/h2-5,8H,1H3/p-1
InChIKeyNCIAKOIZRDSIGF-UHFFFAOYSA-M
MW123.13 g/mol
LogP0.33
Rot. Bonds1

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

cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate (PubChem CID 11987089) has the molecular formula C7H7O2- and a molecular weight of 123.13 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
PubChem CID11987089
Molecular FormulaC7H7O2-
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Namecyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
SMILESCOC([O-])=C1C=CC=C1
InChIInChI=1S/C7H8O2/c1-9-7(8)6-4-2-3-5-6/h2-5,8H,1H3/p-1
InChIKeyNCIAKOIZRDSIGF-UHFFFAOYSA-M
XLogP0.33
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 50.33
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

5-(Methoxymethylidene)cyclopenta-1,3-diene
CID 13428392
Lithium carbomethoxycyclopentadienide
CID 129671640
Cyclopenta-2,4-dien-1-ylidenemethanediolate
CID 7567049
Sodium carbomethoxycyclopentadienide
CID 23718598
5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
Cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 12481623
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
CID 12545700
(4-Cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
CID 13145380
Sodium carboethoxycyclopentadienide
CID 23697899
(1E,3E)-5-cyclopenta-2,4-dien-1-ylidene-1-ethoxypenta-1,3-dien-1-olate
CID 135042477
(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate
CID 135042523
(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate
CID 138970394

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate (CID 11987089) is cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate is COC([O-])=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The InChIKey is NCIAKOIZRDSIGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O2/c1-9-7(8)6-4-2-3-5-6/h2-5,8H,1H3/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate has a molecular weight of 123.13 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate is sourced from PubChem (CID 11987089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).