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

C7H7NaO2 — CID 23718598

IUPACsodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
SMILESCOC([O-])=C1C=CC=C1.[Na+]
InChIInChI=1S/C7H8O2.Na/c1-9-7(8)6-4-2-3-5-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyMDRQEAKUOXKBKD-UHFFFAOYSA-M
MW146.12 g/mol
LogP-2.67
Rot. Bonds1

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

sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate (PubChem CID 23718598) has the molecular formula C7H7NaO2 and a molecular weight of 146.12 g/mol. Its IUPAC name is sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate.

Molecular Properties

Compound Namesodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
PubChem CID23718598
Molecular FormulaC7H7NaO2
Molecular Weight146.12 g/mol
Exact Mass146.03
IUPAC Namesodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
SMILESCOC([O-])=C1C=CC=C1.[Na+]
InChIInChI=1S/C7H8O2.Na/c1-9-7(8)6-4-2-3-5-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyMDRQEAKUOXKBKD-UHFFFAOYSA-M
XLogP-2.67
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-2.67
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-ylidene(methoxy)methanolate
CID 11987089
Lithium carbomethoxycyclopentadienide
CID 129671640
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
(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate
CID 138977631
Carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese
CID 139264181

Frequently Asked Questions

What is the IUPAC name of sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The IUPAC name of sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate (CID 23718598) is sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate.
What is the SMILES notation for sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The canonical SMILES for sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate is COC([O-])=C1C=CC=C1.[Na+].
What is the InChIKey of sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
The InChIKey is MDRQEAKUOXKBKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O2.Na/c1-9-7(8)6-4-2-3-5-6;/h2-5,8H,1H3;/q;+1/p-1.
What are the key properties of sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate?
sodium cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate has a molecular weight of 146.12 g/mol, XLogP of -2.67, 1 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(methoxy)methanolate is sourced from PubChem (CID 23718598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).