2,2-dimethylpentane;hexan-3-one;tungsten(2+)

C13H26OW — CID 162055224

IUPAC2,2-dimethylpentane;hexan-3-one;tungsten(2+)
SMILES[CH2-]CCC(=O)CC.[CH2-]CCC(C)(C)C.[W+2]
InChIInChI=1S/C7H15.C6H11O.W/c1-5-6-7(2,3)4;1-3-5-6(7)4-2;/h1,5-6H2,2-4H3;1,3-5H2,2H3;/q2*-1;+2
InChIKeyYZBVZEVGJKHWSW-UHFFFAOYSA-N
MW382.19 g/mol
LogP4.22
Rot. Bonds4

About 2,2-dimethylpentane;hexan-3-one;tungsten(2+)

2,2-dimethylpentane;hexan-3-one;tungsten(2+) (PubChem CID 162055224) has the molecular formula C13H26OW and a molecular weight of 382.19 g/mol. Its IUPAC name is 2,2-dimethylpentane;hexan-3-one;tungsten(2+).

Molecular Properties

Compound Name2,2-dimethylpentane;hexan-3-one;tungsten(2+)
PubChem CID162055224
Molecular FormulaC13H26OW
Molecular Weight382.19 g/mol
Exact Mass382.15
IUPAC Name2,2-dimethylpentane;hexan-3-one;tungsten(2+)
SMILES[CH2-]CCC(=O)CC.[CH2-]CCC(C)(C)C.[W+2]
InChIInChI=1S/C7H15.C6H11O.W/c1-5-6-7(2,3)4;1-3-5-6(7)4-2;/h1,5-6H2,2-4H3;1,3-5H2,2H3;/q2*-1;+2
InChIKeyYZBVZEVGJKHWSW-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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heptadecane-3,7,11,15-tetrone
CID 160942813
5-hydroxy-5-methyloctan-3-one
CID 87431906
8,8-dimethylnonan-4-one
CID 61481441
4,4-dimethylpentanamide;hydrochloride
CID 141202343
5-oxoheptanamide
CID 54102648
8-methoxy-8-methylnonan-3-one
CID 103037503
zinc;7,7-dimethyloctanoic acid;bis(octane)
CID 174774479
2,2-dimethyldodecane-5,8-dione
CID 13333855
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CID 160856578

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;hexan-3-one;tungsten(2+)?
The IUPAC name of 2,2-dimethylpentane;hexan-3-one;tungsten(2+) (CID 162055224) is 2,2-dimethylpentane;hexan-3-one;tungsten(2+).
What is the SMILES notation for 2,2-dimethylpentane;hexan-3-one;tungsten(2+)?
The canonical SMILES for 2,2-dimethylpentane;hexan-3-one;tungsten(2+) is [CH2-]CCC(=O)CC.[CH2-]CCC(C)(C)C.[W+2].
What is the InChIKey of 2,2-dimethylpentane;hexan-3-one;tungsten(2+)?
The InChIKey is YZBVZEVGJKHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15.C6H11O.W/c1-5-6-7(2,3)4;1-3-5-6(7)4-2;/h1,5-6H2,2-4H3;1,3-5H2,2H3;/q2*-1;+2.
What are the key properties of 2,2-dimethylpentane;hexan-3-one;tungsten(2+)?
2,2-dimethylpentane;hexan-3-one;tungsten(2+) has a molecular weight of 382.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;hexan-3-one;tungsten(2+) is sourced from PubChem (CID 162055224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).