ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten

C11H15O3W-5 — CID 87198811

IUPACethane;methanone;2-methylcyclopenta-1,3-diene;tungsten
SMILESCC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W]
InChIInChI=1S/C6H7.C2H5.3CHO.W/c1-6-4-2-3-5-6;4*1-2;/h2,4H,3H2,1H3;1H2,2H3;3*1H;/q5*-1;
InChIKeyABLDELVOAKLKNQ-UHFFFAOYSA-N
MW379.08 g/mol
LogP1.71
Rot. Bonds

About ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten

ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten (PubChem CID 87198811) has the molecular formula C11H15O3W-5 and a molecular weight of 379.08 g/mol. Its IUPAC name is ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten.

Molecular Properties

Compound Nameethane;methanone;2-methylcyclopenta-1,3-diene;tungsten
PubChem CID87198811
Molecular FormulaC11H15O3W-5
Molecular Weight379.08 g/mol
Exact Mass379.06
IUPAC Nameethane;methanone;2-methylcyclopenta-1,3-diene;tungsten
SMILESCC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W]
InChIInChI=1S/C6H7.C2H5.3CHO.W/c1-6-4-2-3-5-6;4*1-2;/h2,4H,3H2,1H3;1H2,2H3;3*1H;/q5*-1;
InChIKeyABLDELVOAKLKNQ-UHFFFAOYSA-N
XLogP1.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten?
The IUPAC name of ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten (CID 87198811) is ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten.
What is the SMILES notation for ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten?
The canonical SMILES for ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten is CC1=[C-]CC=C1.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W].
What is the InChIKey of ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten?
The InChIKey is ABLDELVOAKLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C2H5.3CHO.W/c1-6-4-2-3-5-6;4*1-2;/h2,4H,3H2,1H3;1H2,2H3;3*1H;/q5*-1;.
What are the key properties of ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten?
ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten has a molecular weight of 379.08 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanone;2-methylcyclopenta-1,3-diene;tungsten is sourced from PubChem (CID 87198811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).