1,2,3,5-tetrahydropentalen-5-ylium

C8H9+ — CID 101355960

IUPAC1,2,3,5-tetrahydropentalen-5-ylium
SMILESC1=C2CCCC2=C[CH+]1
InChIInChI=1S/C8H9/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1
InChIKeyZXLQLGXZBYKGDE-UHFFFAOYSA-N
MW105.16 g/mol
LogP2.24
Rot. Bonds

About 1,2,3,5-tetrahydropentalen-5-ylium

1,2,3,5-tetrahydropentalen-5-ylium (PubChem CID 101355960) has the molecular formula C8H9+ and a molecular weight of 105.16 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropentalen-5-ylium.

Molecular Properties

Compound Name1,2,3,5-tetrahydropentalen-5-ylium
PubChem CID101355960
Molecular FormulaC8H9+
Molecular Weight105.16 g/mol
Exact Mass105.07
IUPAC Name1,2,3,5-tetrahydropentalen-5-ylium
SMILESC1=C2CCCC2=C[CH+]1
InChIInChI=1S/C8H9/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1
InChIKeyZXLQLGXZBYKGDE-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 52.24
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 1,2,3,5-tetrahydropentalen-5-ylium?
The IUPAC name of 1,2,3,5-tetrahydropentalen-5-ylium (CID 101355960) is 1,2,3,5-tetrahydropentalen-5-ylium.
What is the SMILES notation for 1,2,3,5-tetrahydropentalen-5-ylium?
The canonical SMILES for 1,2,3,5-tetrahydropentalen-5-ylium is C1=C2CCCC2=C[CH+]1.
What is the InChIKey of 1,2,3,5-tetrahydropentalen-5-ylium?
The InChIKey is ZXLQLGXZBYKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9/c1-3-7-5-2-6-8(7)4-1/h1,3-4H,2,5-6H2/q+1.
What are the key properties of 1,2,3,5-tetrahydropentalen-5-ylium?
1,2,3,5-tetrahydropentalen-5-ylium has a molecular weight of 105.16 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropentalen-5-ylium is sourced from PubChem (CID 101355960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).