sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C10H15Na — CID 19379194

IUPACsodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Na+]
InChIInChI=1S/C10H15.Na/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1
InChIKeyXDZBXJOUFFPYLN-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.12
Rot. Bonds

About sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 19379194) has the molecular formula C10H15Na and a molecular weight of 158.22 g/mol. Its IUPAC name is sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namesodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID19379194
Molecular FormulaC10H15Na
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Namesodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Na+]
InChIInChI=1S/C10H15.Na/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1
InChIKeyXDZBXJOUFFPYLN-UHFFFAOYSA-N
XLogP0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 19379194) is sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.[Na+].
What is the InChIKey of sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is XDZBXJOUFFPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Na/c1-7-6-10(4,5)9(3)8(7)2;/h1-5H3;/q-1;+1.
What are the key properties of sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 158.22 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 19379194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).