(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium

C9H9O2V- — CID 59549305

IUPAC(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium
SMILESCC1=[C-]C(C)=CC(=O)/C1=C\O.[V]
InChIInChI=1S/C9H9O2.V/c1-6-3-7(2)8(5-10)9(11)4-6;/h4-5,10H,1-2H3;/q-1;/b8-5-;
InChIKeyNIZLXNKDEXKBLQ-HGKIGUAWSA-N
MW200.11 g/mol
LogP1.70
Rot. Bonds

About (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium

(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium (PubChem CID 59549305) has the molecular formula C9H9O2V- and a molecular weight of 200.11 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium
PubChem CID59549305
Molecular FormulaC9H9O2V-
Molecular Weight200.11 g/mol
Exact Mass200.00
IUPAC Name(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium
SMILESCC1=[C-]C(C)=CC(=O)/C1=C\O.[V]
InChIInChI=1S/C9H9O2.V/c1-6-3-7(2)8(5-10)9(11)4-6;/h4-5,10H,1-2H3;/q-1;/b8-5-;
InChIKeyNIZLXNKDEXKBLQ-HGKIGUAWSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium 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 (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium?
The IUPAC name of (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium (CID 59549305) is (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium.
What is the SMILES notation for (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium?
The canonical SMILES for (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium is CC1=[C-]C(C)=CC(=O)/C1=C\O.[V].
What is the InChIKey of (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium?
The InChIKey is NIZLXNKDEXKBLQ-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H9O2.V/c1-6-3-7(2)8(5-10)9(11)4-6;/h4-5,10H,1-2H3;/q-1;/b8-5-;.
What are the key properties of (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium?
(6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium has a molecular weight of 200.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(hydroxymethylidene)-3,5-dimethylcyclohexa-2,4-dien-1-one;vanadium is sourced from PubChem (CID 59549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).