CID 134902348

C24H28ClTa- — CID 134902348

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.Cl/[Ta]=C\c1ccccc1.[CH2-]c1ccccc1
InChIInChI=1S/C10H15.C7H7.C7H6.ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;2*1-7-5-3-2-4-6-7;;/h1-5H3;2-6H,1H2;1-6H;1H;/q;-1;;;+1/p-1
InChIKeyUMCZHDVAJXJDEC-UHFFFAOYSA-M
MW532.89 g/mol
LogP7.21
Rot. Bonds1

About CID 134902348

CID 134902348 (PubChem CID 134902348) has the molecular formula C24H28ClTa- and a molecular weight of 532.89 g/mol.

Molecular Properties

Compound NameCID 134902348
PubChem CID134902348
Molecular FormulaC24H28ClTa-
Molecular Weight532.89 g/mol
Exact Mass532.14
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.Cl/[Ta]=C\c1ccccc1.[CH2-]c1ccccc1
InChIInChI=1S/C10H15.C7H7.C7H6.ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;2*1-7-5-3-2-4-6-7;;/h1-5H3;2-6H,1H2;1-6H;1H;/q;-1;;;+1/p-1
InChIKeyUMCZHDVAJXJDEC-UHFFFAOYSA-M
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.89
LogP ≤ 57.21
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 134902348?
The IUPAC name of CID 134902348 (CID 134902348) is not available.
What is the SMILES notation for CID 134902348?
The canonical SMILES for CID 134902348 is C[C]1C(C)=C(C)C(C)=C1C.Cl/[Ta]=C\c1ccccc1.[CH2-]c1ccccc1.
What is the InChIKey of CID 134902348?
The InChIKey is UMCZHDVAJXJDEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.C7H7.C7H6.ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;2*1-7-5-3-2-4-6-7;;/h1-5H3;2-6H,1H2;1-6H;1H;/q;-1;;;+1/p-1.
What are the key properties of CID 134902348?
CID 134902348 has a molecular weight of 532.89 g/mol, XLogP of 7.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902348 is sourced from PubChem (CID 134902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).