2-ethylpentan-1-one;tungsten

C7H13OW- — CID 166120591

IUPAC2-ethylpentan-1-one;tungsten
SMILESCCCC([C-]=O)CC.[W]
InChIInChI=1S/C7H13O.W/c1-3-5-7(4-2)6-8;/h7H,3-5H2,1-2H3;/q-1;
InChIKeyPPHLJEHVWHPGIE-UHFFFAOYSA-N
MW297.02 g/mol
LogP1.92
Rot. Bonds4

About 2-ethylpentan-1-one;tungsten

2-ethylpentan-1-one;tungsten (PubChem CID 166120591) has the molecular formula C7H13OW- and a molecular weight of 297.02 g/mol. Its IUPAC name is 2-ethylpentan-1-one;tungsten.

Molecular Properties

Compound Name2-ethylpentan-1-one;tungsten
PubChem CID166120591
Molecular FormulaC7H13OW-
Molecular Weight297.02 g/mol
Exact Mass297.05
IUPAC Name2-ethylpentan-1-one;tungsten
SMILESCCCC([C-]=O)CC.[W]
InChIInChI=1S/C7H13O.W/c1-3-5-7(4-2)6-8;/h7H,3-5H2,1-2H3;/q-1;
InChIKeyPPHLJEHVWHPGIE-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 51.92
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

2-(sulfanylmethyl)heptan-1-one;yttrium
CID 58435693
bis(2-ethyl-3-hydroxyhexan-1-one);titanium(2+)
CID 175509544
4,5-diethyloctane
CID 519254
4-ethylheptane;methane
CID 143165373
(2S)-2-ethylpentanal
CID 71368973
CID 91524756
CID 91524756
3-methyl-2-propylpentanoic acid
CID 54305821
hexan-3-ol
CID 12178
3-bromohexane
CID 18806
3,4-diethylheptane;ethane
CID 144734225
tris(3,4-diethylheptane);methane
CID 160558798
(3R)-3,4-dimethylheptane
CID 59819300

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentan-1-one;tungsten?
The IUPAC name of 2-ethylpentan-1-one;tungsten (CID 166120591) is 2-ethylpentan-1-one;tungsten.
What is the SMILES notation for 2-ethylpentan-1-one;tungsten?
The canonical SMILES for 2-ethylpentan-1-one;tungsten is CCCC([C-]=O)CC.[W].
What is the InChIKey of 2-ethylpentan-1-one;tungsten?
The InChIKey is PPHLJEHVWHPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.W/c1-3-5-7(4-2)6-8;/h7H,3-5H2,1-2H3;/q-1;.
What are the key properties of 2-ethylpentan-1-one;tungsten?
2-ethylpentan-1-one;tungsten has a molecular weight of 297.02 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentan-1-one;tungsten is sourced from PubChem (CID 166120591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).