californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate

C15H19CfO3- — CID 153467655

IUPACcalifornium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)C(=O)c1cc[c-]cc1.[Cf]
InChIInChI=1S/C15H19O3.Cf/c1-5-11(2)14(17)18-15(3,4)13(16)12-9-7-6-8-10-12;/h7-11H,5H2,1-4H3;/q-1;
InChIKeyBUVZJPLOURIMAQ-UHFFFAOYSA-N
MW498.31 g/mol
LogP3.04
Rot. Bonds5

About californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate

californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate (PubChem CID 153467655) has the molecular formula C15H19CfO3- and a molecular weight of 498.31 g/mol. Its IUPAC name is californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate.

Molecular Properties

Compound Namecalifornium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate
PubChem CID153467655
Molecular FormulaC15H19CfO3-
Molecular Weight498.31 g/mol
Exact Mass496.21
IUPAC Namecalifornium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)C(=O)c1cc[c-]cc1.[Cf]
InChIInChI=1S/C15H19O3.Cf/c1-5-11(2)14(17)18-15(3,4)13(16)12-9-7-6-8-10-12;/h7-11H,5H2,1-4H3;/q-1;
InChIKeyBUVZJPLOURIMAQ-UHFFFAOYSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-Methyl-3,6-dioxo-2-propan-2-ylcyclohexa-1,4-dien-1-yl) acetate
CID 14287135
1,3,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 12351073
(1,4,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 12169750
(1,2,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 12169751
1,5-Dimethyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 12351074
5-tert-Butyl-1-methyl-6-oxocyclohexa-2,4-dien-1-yl acetate
CID 12351075
6-Oxo-1-(propan-2-yl)cyclohexa-2,4-dien-1-yl acetate
CID 71380227
2-Methyl-6-allyl-2-acetoxy-cyclohexadienon
CID 129630020
2,6-Diallyl-2-acetoxy-cyclohexadienon
CID 129630025
2,6-Dimethyl-4-n-propyl-2-acetoxy-cyclohexadienon
CID 129647068
(1-Methyl-6-oxo-4-propan-2-ylcyclohexa-2,4-dien-1-yl) acetate
CID 11020087
(2-Methyl-3,6-dioxo-5-propan-2-ylcyclohexa-1,4-dien-1-yl) acetate
CID 21604842

Frequently Asked Questions

What is the IUPAC name of californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate?
The IUPAC name of californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate (CID 153467655) is californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate.
What is the SMILES notation for californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate?
The canonical SMILES for californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate is CCC(C)C(=O)OC(C)(C)C(=O)c1cc[c-]cc1.[Cf].
What is the InChIKey of californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate?
The InChIKey is BUVZJPLOURIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O3.Cf/c1-5-11(2)14(17)18-15(3,4)13(16)12-9-7-6-8-10-12;/h7-11H,5H2,1-4H3;/q-1;.
What are the key properties of californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate?
californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate has a molecular weight of 498.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for californium;(2-methyl-1-oxo-1-phenylpropan-2-yl) 2-methylbutanoate is sourced from PubChem (CID 153467655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).