cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten

C10H14O3W-6 — CID 175527231

IUPACcyclopenta-1,3-diene;ethane;hydride;methanone;tungsten
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[H-].[W].c1cc[cH-]c1
InChIInChI=1S/C5H5.C2H5.3CHO.W.H/c1-2-4-5-3-1;4*1-2;;/h1-5H;1H2,2H3;3*1H;;/q5*-1;;-1
InChIKeyGVJKPTXTCAMJFA-UHFFFAOYSA-N
MW366.06 g/mol
LogP1.53
Rot. Bonds

About cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten

cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten (PubChem CID 175527231) has the molecular formula C10H14O3W-6 and a molecular weight of 366.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;hydride;methanone;tungsten
PubChem CID175527231
Molecular FormulaC10H14O3W-6
Molecular Weight366.06 g/mol
Exact Mass366.05
IUPAC Namecyclopenta-1,3-diene;ethane;hydride;methanone;tungsten
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[H-].[W].c1cc[cH-]c1
InChIInChI=1S/C5H5.C2H5.3CHO.W.H/c1-2-4-5-3-1;4*1-2;;/h1-5H;1H2,2H3;3*1H;;/q5*-1;;-1
InChIKeyGVJKPTXTCAMJFA-UHFFFAOYSA-N
XLogP1.53
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.06
LogP ≤ 51.53
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 cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten?
The IUPAC name of cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten (CID 175527231) is cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten?
The canonical SMILES for cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten is [CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[H-].[W].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten?
The InChIKey is GVJKPTXTCAMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C2H5.3CHO.W.H/c1-2-4-5-3-1;4*1-2;;/h1-5H;1H2,2H3;3*1H;;/q5*-1;;-1.
What are the key properties of cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten?
cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten has a molecular weight of 366.06 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten is sourced from PubChem (CID 175527231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).