(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate

C7H6IO2- — CID 138977631

IUPAC(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate
SMILESCO/C([O-])=C1\C=CC=C1I
InChIInChI=1S/C7H7IO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4,9H,1H3/p-1/b7-5+
InChIKeyYSMPUGGGUQLPAC-FNORWQNLSA-M
MW249.03 g/mol
LogP1.09
Rot. Bonds1

About (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate

(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate (PubChem CID 138977631) has the molecular formula C7H6IO2- and a molecular weight of 249.03 g/mol. Its IUPAC name is (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate.

Molecular Properties

Compound Name(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate
PubChem CID138977631
Molecular FormulaC7H6IO2-
Molecular Weight249.03 g/mol
Exact Mass248.94
IUPAC Name(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate
SMILESCO/C([O-])=C1\C=CC=C1I
InChIInChI=1S/C7H7IO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4,9H,1H3/p-1/b7-5+
InChIKeyYSMPUGGGUQLPAC-FNORWQNLSA-M
XLogP1.09
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate?
The IUPAC name of (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate (CID 138977631) is (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate.
What is the SMILES notation for (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate?
The canonical SMILES for (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate is CO/C([O-])=C1\C=CC=C1I.
What is the InChIKey of (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate?
The InChIKey is YSMPUGGGUQLPAC-FNORWQNLSA-M. The full InChI is InChI=1S/C7H7IO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4,9H,1H3/p-1/b7-5+.
What are the key properties of (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate?
(E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate has a molecular weight of 249.03 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2-iodocyclopenta-2,4-dien-1-ylidene)-methoxymethanolate is sourced from PubChem (CID 138977631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).