2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium

C29H41O6U- — CID 59271053

IUPAC2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium
SMILES[CH2-]CC1CCC(=O)C(CC2CCC(=O)C(CC3CCC(=O)C(C)CCC3=O)CCC2=O)CCC1=O.[U]
InChIInChI=1S/C29H41O6.U/c1-3-19-5-12-27(33)21(7-13-25(19)31)17-23-9-15-28(34)22(8-14-29(23)35)16-20-6-11-24(30)18(2)4-10-26(20)32;/h18-23H,1,3-17H2,2H3;/q-1;
InChIKeyCABIWBBMVMBTSJ-UHFFFAOYSA-N
MW723.67 g/mol
LogP4.84
Rot. Bonds5

About 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium

2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium (PubChem CID 59271053) has the molecular formula C29H41O6U- and a molecular weight of 723.67 g/mol. Its IUPAC name is 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium.

Molecular Properties

Compound Name2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium
PubChem CID59271053
Molecular FormulaC29H41O6U-
Molecular Weight723.67 g/mol
Exact Mass723.34
IUPAC Name2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium
SMILES[CH2-]CC1CCC(=O)C(CC2CCC(=O)C(CC3CCC(=O)C(C)CCC3=O)CCC2=O)CCC1=O.[U]
InChIInChI=1S/C29H41O6.U/c1-3-19-5-12-27(33)21(7-13-25(19)31)17-23-9-15-28(34)22(8-14-29(23)35)16-20-6-11-24(30)18(2)4-10-26(20)32;/h18-23H,1,3-17H2,2H3;/q-1;
InChIKeyCABIWBBMVMBTSJ-UHFFFAOYSA-N
XLogP4.84
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500723.67
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(5-methyl-2,6-dioxocyclooctyl)methyl]cyclooctane-1,5-dione
CID 59271051
2-ethylcyclobutan-1-one
CID 534566
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
(2S)-2-(cyclohexylmethyl)cyclobutan-1-one
CID 163908337
5-hydroxy-2-methylcycloheptan-1-one
CID 20517423
(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione
CID 11111398
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
4-ethyl-2-methylcyclohexane-1,3-dione
CID 130029472
ethane;4-methylcyclohexane-1,3-dione
CID 153395482
2-(9-bromononyl)cyclobutan-1-one
CID 138974792
(1R,3R,7R,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undecane-2,6-dione
CID 7103251

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium?
The IUPAC name of 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium (CID 59271053) is 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium.
What is the SMILES notation for 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium?
The canonical SMILES for 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium is [CH2-]CC1CCC(=O)C(CC2CCC(=O)C(CC3CCC(=O)C(C)CCC3=O)CCC2=O)CCC1=O.[U].
What is the InChIKey of 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium?
The InChIKey is CABIWBBMVMBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41O6.U/c1-3-19-5-12-27(33)21(7-13-25(19)31)17-23-9-15-28(34)22(8-14-29(23)35)16-20-6-11-24(30)18(2)4-10-26(20)32;/h18-23H,1,3-17H2,2H3;/q-1;.
What are the key properties of 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium?
2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium has a molecular weight of 723.67 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(5-ethyl-2,6-dioxocyclooctyl)methyl]-2,6-dioxocyclooctyl]methyl]-6-methylcyclooctane-1,5-dione;uranium is sourced from PubChem (CID 59271053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).