(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone

C8H8O2 — CID 54252008

IUPAC(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESCOC1=CC=CCC1=C=O
InChIInChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5H,4H2,1H3
InChIKeyOQDMVHBZOXKXSH-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.23
Rot. Bonds1

About (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone

(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 54252008) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID54252008
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESCOC1=CC=CCC1=C=O
InChIInChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5H,4H2,1H3
InChIKeyOQDMVHBZOXKXSH-UHFFFAOYSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone (CID 54252008) is (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone is COC1=CC=CCC1=C=O.
What is the InChIKey of (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is OQDMVHBZOXKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-3,5H,4H2,1H3.
What are the key properties of (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone?
(2-methoxycyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 136.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 54252008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).