(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium

C9H11O+ — CID 14785545

IUPAC(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium
SMILESCC=C1C=CC(=[O+]C)C=C1
InChIInChI=1S/C9H11O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1-2H3/q+1
InChIKeyMGHXVCCKFZAJRK-UHFFFAOYSA-N
MW135.19 g/mol
LogP1.79
Rot. Bonds

About (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium

(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium (PubChem CID 14785545) has the molecular formula C9H11O+ and a molecular weight of 135.19 g/mol. Its IUPAC name is (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium.

Molecular Properties

Compound Name(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium
PubChem CID14785545
Molecular FormulaC9H11O+
Molecular Weight135.19 g/mol
Exact Mass135.08
IUPAC Name(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium
SMILESCC=C1C=CC(=[O+]C)C=C1
InChIInChI=1S/C9H11O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1-2H3/q+1
InChIKeyMGHXVCCKFZAJRK-UHFFFAOYSA-N
XLogP1.79
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium?
The IUPAC name of (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium (CID 14785545) is (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium.
What is the SMILES notation for (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium?
The canonical SMILES for (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium is CC=C1C=CC(=[O+]C)C=C1.
What is the InChIKey of (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium?
The InChIKey is MGHXVCCKFZAJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1-2H3/q+1.
What are the key properties of (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium?
(4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium has a molecular weight of 135.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylidenecyclohexa-2,5-dien-1-ylidene)-methyloxidanium is sourced from PubChem (CID 14785545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).