2,2,6,6-tetramethylhept-4-en-3-one;uranium

C11H19OU- — CID 59915107

IUPAC2,2,6,6-tetramethylhept-4-en-3-one;uranium
SMILESCC(C)(C)/C=[C-]/C(=O)C(C)(C)C.[U]
InChIInChI=1S/C11H19O.U/c1-10(2,3)8-7-9(12)11(4,5)6;/h8H,1-6H3;/q-1;
InChIKeyDZYCYMCQLDOAFT-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.01
Rot. Bonds1

About 2,2,6,6-tetramethylhept-4-en-3-one;uranium

2,2,6,6-tetramethylhept-4-en-3-one;uranium (PubChem CID 59915107) has the molecular formula C11H19OU- and a molecular weight of 405.30 g/mol. Its IUPAC name is 2,2,6,6-tetramethylhept-4-en-3-one;uranium.

Molecular Properties

Compound Name2,2,6,6-tetramethylhept-4-en-3-one;uranium
PubChem CID59915107
Molecular FormulaC11H19OU-
Molecular Weight405.30 g/mol
Exact Mass405.19
IUPAC Name2,2,6,6-tetramethylhept-4-en-3-one;uranium
SMILESCC(C)(C)/C=[C-]/C(=O)C(C)(C)C.[U]
InChIInChI=1S/C11H19O.U/c1-10(2,3)8-7-9(12)11(4,5)6;/h8H,1-6H3;/q-1;
InChIKeyDZYCYMCQLDOAFT-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylhept-4-en-3-one;uranium?
The IUPAC name of 2,2,6,6-tetramethylhept-4-en-3-one;uranium (CID 59915107) is 2,2,6,6-tetramethylhept-4-en-3-one;uranium.
What is the SMILES notation for 2,2,6,6-tetramethylhept-4-en-3-one;uranium?
The canonical SMILES for 2,2,6,6-tetramethylhept-4-en-3-one;uranium is CC(C)(C)/C=[C-]/C(=O)C(C)(C)C.[U].
What is the InChIKey of 2,2,6,6-tetramethylhept-4-en-3-one;uranium?
The InChIKey is DZYCYMCQLDOAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O.U/c1-10(2,3)8-7-9(12)11(4,5)6;/h8H,1-6H3;/q-1;.
What are the key properties of 2,2,6,6-tetramethylhept-4-en-3-one;uranium?
2,2,6,6-tetramethylhept-4-en-3-one;uranium has a molecular weight of 405.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylhept-4-en-3-one;uranium is sourced from PubChem (CID 59915107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).