2-ethylcyclopenta-1,3-diene;methanone;tungsten

C10H12O3W-4 — CID 173030270

IUPAC2-ethylcyclopenta-1,3-diene;methanone;tungsten
SMILESCCC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[W]
InChIInChI=1S/C7H9.3CHO.W/c1-2-7-5-3-4-6-7;3*1-2;/h3,5H,2,4H2,1H3;3*1H;/q4*-1;
InChIKeyOUKUYMFQUSNLDN-UHFFFAOYSA-N
MW364.04 g/mol
LogP1.26
Rot. Bonds1

About 2-ethylcyclopenta-1,3-diene;methanone;tungsten

2-ethylcyclopenta-1,3-diene;methanone;tungsten (PubChem CID 173030270) has the molecular formula C10H12O3W-4 and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-diene;methanone;tungsten.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-diene;methanone;tungsten
PubChem CID173030270
Molecular FormulaC10H12O3W-4
Molecular Weight364.04 g/mol
Exact Mass364.03
IUPAC Name2-ethylcyclopenta-1,3-diene;methanone;tungsten
SMILESCCC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[W]
InChIInChI=1S/C7H9.3CHO.W/c1-2-7-5-3-4-6-7;3*1-2;/h3,5H,2,4H2,1H3;3*1H;/q4*-1;
InChIKeyOUKUYMFQUSNLDN-UHFFFAOYSA-N
XLogP1.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
CID 87198937
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812
carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
CID 140501181
bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 87203276
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87477496
bis(2-propylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 86584684
2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
CID 173025435

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta-1,3-diene;methanone;tungsten?
The IUPAC name of 2-ethylcyclopenta-1,3-diene;methanone;tungsten (CID 173030270) is 2-ethylcyclopenta-1,3-diene;methanone;tungsten.
What is the SMILES notation for 2-ethylcyclopenta-1,3-diene;methanone;tungsten?
The canonical SMILES for 2-ethylcyclopenta-1,3-diene;methanone;tungsten is CCC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[W].
What is the InChIKey of 2-ethylcyclopenta-1,3-diene;methanone;tungsten?
The InChIKey is OUKUYMFQUSNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.3CHO.W/c1-2-7-5-3-4-6-7;3*1-2;/h3,5H,2,4H2,1H3;3*1H;/q4*-1;.
What are the key properties of 2-ethylcyclopenta-1,3-diene;methanone;tungsten?
2-ethylcyclopenta-1,3-diene;methanone;tungsten has a molecular weight of 364.04 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-diene;methanone;tungsten is sourced from PubChem (CID 173030270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).