(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium

C8H9O2+ — CID 134848150

IUPAC(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H]/[O+]=C1\C=CC(=C)C=C1OC
InChIInChI=1S/C8H8O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1H2,2H3/p+1
InChIKeyANUKRSLZKUIBBN-UHFFFAOYSA-O
MW137.16 g/mol
LogP1.19
Rot. Bonds1

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

(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (PubChem CID 134848150) has the molecular formula C8H9O2+ and a molecular weight of 137.16 g/mol. Its IUPAC name is (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.

Molecular Properties

Compound Name(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
PubChem CID134848150
Molecular FormulaC8H9O2+
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H]/[O+]=C1\C=CC(=C)C=C1OC
InChIInChI=1S/C8H8O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1H2,2H3/p+1
InChIKeyANUKRSLZKUIBBN-UHFFFAOYSA-O
XLogP1.19
TPSA30.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The IUPAC name of (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (CID 134848150) is (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.
What is the SMILES notation for (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The canonical SMILES for (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is [H]/[O+]=C1\C=CC(=C)C=C1OC.
What is the InChIKey of (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The InChIKey is ANUKRSLZKUIBBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1H2,2H3/p+1.
What are the key properties of (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
(2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium has a molecular weight of 137.16 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is sourced from PubChem (CID 134848150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).