potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene

C9H13K — CID 12980203

IUPACpotassium 1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCc1c[c-](C)c(C)c1C.[K+]
InChIInChI=1S/C9H13.K/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1
InChIKeyULQSEHBJYIMTMP-UHFFFAOYSA-N
MW160.30 g/mol
LogP-0.36
Rot. Bonds

About potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene

potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 12980203) has the molecular formula C9H13K and a molecular weight of 160.30 g/mol. Its IUPAC name is potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namepotassium 1,2,3,5-tetramethylcyclopenta-1,3-diene
PubChem CID12980203
Molecular FormulaC9H13K
Molecular Weight160.30 g/mol
Exact Mass160.07
IUPAC Namepotassium 1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCc1c[c-](C)c(C)c1C.[K+]
InChIInChI=1S/C9H13.K/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1
InChIKeyULQSEHBJYIMTMP-UHFFFAOYSA-N
XLogP-0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 5-0.36
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 potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 12980203) is potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene is Cc1c[c-](C)c(C)c1C.[K+].
What is the InChIKey of potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is ULQSEHBJYIMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.K/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3;/q-1;+1.
What are the key properties of potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene?
potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 160.30 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,3,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 12980203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).