sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C10H15Na — CID 3650476

IUPACsodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Na+]
InChIInChI=1S/C10H15.Na/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;+1
InChIKeyAZPFIBUAXMKYMY-UHFFFAOYSA-N
MW158.22 g/mol
LogP-0.05
Rot. Bonds

About sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene

sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 3650476) has the molecular formula C10H15Na and a molecular weight of 158.22 g/mol. Its IUPAC name is sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namesodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID3650476
Molecular FormulaC10H15Na
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Namesodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Na+]
InChIInChI=1S/C10H15.Na/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;+1
InChIKeyAZPFIBUAXMKYMY-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 3650476) is sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[Na+].
What is the InChIKey of sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is AZPFIBUAXMKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Na/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;+1.
What are the key properties of sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 158.22 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 3650476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).