ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten

C15H23O3W-5 — CID 87198885

IUPACethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W]
InChIInChI=1S/C10H15.C2H5.3CHO.W/c1-7-6-10(4,5)9(3)8(7)2;4*1-2;/h1-5H3;1H2,2H3;3*1H;/q5*-1;
InChIKeyFNWNZDVXAMBVHE-UHFFFAOYSA-N
MW435.19 g/mol
LogP3.13
Rot. Bonds

About ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten

ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten (PubChem CID 87198885) has the molecular formula C15H23O3W-5 and a molecular weight of 435.19 g/mol. Its IUPAC name is ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten.

Molecular Properties

Compound Nameethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten
PubChem CID87198885
Molecular FormulaC15H23O3W-5
Molecular Weight435.19 g/mol
Exact Mass435.12
IUPAC Nameethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W]
InChIInChI=1S/C10H15.C2H5.3CHO.W/c1-7-6-10(4,5)9(3)8(7)2;4*1-2;/h1-5H3;1H2,2H3;3*1H;/q5*-1;
InChIKeyFNWNZDVXAMBVHE-UHFFFAOYSA-N
XLogP3.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 53.13
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

(Pentamethyl-cyclopenta-dienyl)(dicarbonyl)iridium(i)
CID 129693329
Formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 21571359
Bis(oxomethylidene)rhodium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 57377228
Formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;rhodium
CID 87078039
Formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
CID 87168157
Carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten
CID 87198978
1-Methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten
CID 87198979
Formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 87243464
Formaldehyde;iodoruthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 87463744
Bromoruthenium(1+);formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 87463846
Formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87465567
Formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
CID 87482489

Frequently Asked Questions

What is the IUPAC name of ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The IUPAC name of ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten (CID 87198885) is ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten.
What is the SMILES notation for ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The canonical SMILES for ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten is CC1=[C-]C(C)(C)C(C)=C1C.[CH-]=O.[CH-]=O.[CH-]=O.[CH2-]C.[W].
What is the InChIKey of ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The InChIKey is FNWNZDVXAMBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C2H5.3CHO.W/c1-7-6-10(4,5)9(3)8(7)2;4*1-2;/h1-5H3;1H2,2H3;3*1H;/q5*-1;.
What are the key properties of ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten has a molecular weight of 435.19 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten is sourced from PubChem (CID 87198885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).