CID 11295526

C22H36Th+2 — CID 11295526

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Th+4]
InChIInChI=1S/2C10H15.2CH3.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+4
InChIKeyJSWSRACTDZEQMI-UHFFFAOYSA-N
MW532.57 g/mol
LogP6.84
Rot. Bonds

About CID 11295526

CID 11295526 (PubChem CID 11295526) has the molecular formula C22H36Th+2 and a molecular weight of 532.57 g/mol.

Molecular Properties

Compound NameCID 11295526
PubChem CID11295526
Molecular FormulaC22H36Th+2
Molecular Weight532.57 g/mol
Exact Mass532.32
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Th+4]
InChIInChI=1S/2C10H15.2CH3.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+4
InChIKeyJSWSRACTDZEQMI-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.57
LogP ≤ 56.84
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 CID 11295526?
The IUPAC name of CID 11295526 (CID 11295526) is not available.
What is the SMILES notation for CID 11295526?
The canonical SMILES for CID 11295526 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[Th+4].
What is the InChIKey of CID 11295526?
The InChIKey is JSWSRACTDZEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH3.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+4.
What are the key properties of CID 11295526?
CID 11295526 has a molecular weight of 532.57 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11295526 is sourced from PubChem (CID 11295526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).