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

C14H21O3W-5 — CID 87198978

IUPACcarbanide;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.[CH3-].[W]
InChIInChI=1S/C10H15.3CHO.CH3.W/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;/h1-5H3;3*1H;1H3;/q5*-1;
InChIKeyMHILETRBPTVPOX-UHFFFAOYSA-N
MW421.16 g/mol
LogP2.74
Rot. Bonds

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

carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten (PubChem CID 87198978) has the molecular formula C14H21O3W-5 and a molecular weight of 421.16 g/mol. Its IUPAC name is carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten.

Molecular Properties

Compound Namecarbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten
PubChem CID87198978
Molecular FormulaC14H21O3W-5
Molecular Weight421.16 g/mol
Exact Mass421.10
IUPAC Namecarbanide;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.[CH3-].[W]
InChIInChI=1S/C10H15.3CHO.CH3.W/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;/h1-5H3;3*1H;1H3;/q5*-1;
InChIKeyMHILETRBPTVPOX-UHFFFAOYSA-N
XLogP2.74
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.16
LogP ≤ 52.74
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 carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The IUPAC name of carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten (CID 87198978) is carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten.
What is the SMILES notation for carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The canonical SMILES for carbanide;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.[CH3-].[W].
What is the InChIKey of carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
The InChIKey is MHILETRBPTVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3CHO.CH3.W/c1-7-6-10(4,5)9(3)8(7)2;3*1-2;;/h1-5H3;3*1H;1H3;/q5*-1;.
What are the key properties of carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten?
carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten has a molecular weight of 421.16 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanone;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten is sourced from PubChem (CID 87198978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).