(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium

C13H11O+ — CID 59057581

IUPAC(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H][O+]=C1C=CC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H10O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-10H/p+1
InChIKeyJZGBFLPDWLTZHJ-UHFFFAOYSA-O
MW183.23 g/mol
LogP2.74
Rot. Bonds1

About (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium

(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (PubChem CID 59057581) has the molecular formula C13H11O+ and a molecular weight of 183.23 g/mol. Its IUPAC name is (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.

Molecular Properties

Compound Name(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
PubChem CID59057581
Molecular FormulaC13H11O+
Molecular Weight183.23 g/mol
Exact Mass183.08
IUPAC Name(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H][O+]=C1C=CC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H10O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-10H/p+1
InChIKeyJZGBFLPDWLTZHJ-UHFFFAOYSA-O
XLogP2.74
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
CID 139888618
2,4-dibenzylidene-1,3-dithietane
CID 101088005
4-benzylidene-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 71396191
[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene
CID 53381218
9,10-dibenzylidenephenanthrene
CID 135051601
3-phenylprop-2-ene-1,1-diol
CID 54432533
methyl (4Z)-4-benzylidenepyrrol-1-ium-2-carboxylate
CID 164681202
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
CID 70569152
CID 70569152
CID 70567885
CID 70567885
dimethyl 4-benzylidene-1-methylselenopyran-1-ium-2,6-dicarboxylate
CID 15880538
cyclohexylidenemethylbenzene
CID 4158813

Frequently Asked Questions

What is the IUPAC name of (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The IUPAC name of (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (CID 59057581) is (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.
What is the SMILES notation for (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The canonical SMILES for (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is [H][O+]=C1C=CC(=Cc2ccccc2)C=C1.
What is the InChIKey of (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The InChIKey is JZGBFLPDWLTZHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-10H/p+1.
What are the key properties of (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium has a molecular weight of 183.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is sourced from PubChem (CID 59057581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).