(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium

C10H12OV — CID 174806990

IUPAC(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium
SMILESCC1=C(C)C(C)C(=C=O)C=C1.[V]
InChIInChI=1S/C10H12O.V/c1-7-4-5-10(6-11)9(3)8(7)2;/h4-5,9H,1-3H3;
InChIKeyQTCWLKRFAMBUHO-UHFFFAOYSA-N
MW199.15 g/mol
LogP2.28
Rot. Bonds

About (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium

(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium (PubChem CID 174806990) has the molecular formula C10H12OV and a molecular weight of 199.15 g/mol. Its IUPAC name is (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium.

Molecular Properties

Compound Name(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium
PubChem CID174806990
Molecular FormulaC10H12OV
Molecular Weight199.15 g/mol
Exact Mass199.03
IUPAC Name(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium
SMILESCC1=C(C)C(C)C(=C=O)C=C1.[V]
InChIInChI=1S/C10H12O.V/c1-7-4-5-10(6-11)9(3)8(7)2;/h4-5,9H,1-3H3;
InChIKeyQTCWLKRFAMBUHO-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-trimethylcyclopenta-1,3-diene;zirconium
CID 174480219
(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone
CID 174435987
1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
CID 131674871
2,3,4-trimethyl-2H-pyran
CID 19800443
CID 175418722
CID 175418722
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
(3,4,5-trimethylcyclopenta-1,3-dien-1-yl) acetate
CID 138976903
methyl 3-(oxomethylidene)-2H-pyridine-2-carboxylate
CID 154339076
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
[2-(dimethylamino)-2H-pyridin-3-ylidene]methanone
CID 141295303
4a,9a-dihydrobenzo[7]annulen-5-ylidenemethanone
CID 91367068
(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
CID 13037815

Frequently Asked Questions

What is the IUPAC name of (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium?
The IUPAC name of (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium (CID 174806990) is (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium.
What is the SMILES notation for (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium?
The canonical SMILES for (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium is CC1=C(C)C(C)C(=C=O)C=C1.[V].
What is the InChIKey of (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium?
The InChIKey is QTCWLKRFAMBUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.V/c1-7-4-5-10(6-11)9(3)8(7)2;/h4-5,9H,1-3H3;.
What are the key properties of (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium?
(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium has a molecular weight of 199.15 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium is sourced from PubChem (CID 174806990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).