cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate

C17H14O2-2 — CID 90480818

IUPACcyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
SMILES[O-]C(O)=c1ccc(=C2C=CC=C2)cc1.c1cc[cH-]c1
InChIInChI=1S/C12H10O2.C5H5/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1/h1-8,13-14H;1-5H/q;-1/p-1
InChIKeyWCOFUMZTHXJYIF-UHFFFAOYSA-M
MW250.30 g/mol
LogP1.35
Rot. Bonds

About cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate

cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate (PubChem CID 90480818) has the molecular formula C17H14O2-2 and a molecular weight of 250.30 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
PubChem CID90480818
Molecular FormulaC17H14O2-2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Namecyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
SMILES[O-]C(O)=c1ccc(=C2C=CC=C2)cc1.c1cc[cH-]c1
InChIInChI=1S/C12H10O2.C5H5/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1/h1-8,13-14H;1-5H/q;-1/p-1
InChIKeyWCOFUMZTHXJYIF-UHFFFAOYSA-M
XLogP1.35
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)
CID 57351793
bis(cyclopenta-1,3-diene);gold
CID 140990202
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
CID 171395327
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(2-sulfanylethylamino)methanolate;iron(2+)
CID 131724610
bis(cyclopenta-1,3-diene);iron(2+);phenol
CID 173093815
cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)
CID 139240111
bis(cyclopenta-1,3-diene);diphenylphosphane;iron(2+)
CID 172843906
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
CID 139234486

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate?
The IUPAC name of cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate (CID 90480818) is cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate.
What is the SMILES notation for cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate?
The canonical SMILES for cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate is [O-]C(O)=c1ccc(=C2C=CC=C2)cc1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate?
The InChIKey is WCOFUMZTHXJYIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.C5H5/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1/h1-8,13-14H;1-5H/q;-1/p-1.
What are the key properties of cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate?
cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate has a molecular weight of 250.30 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate is sourced from PubChem (CID 90480818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).