CID 135082320

C16H31NPt-3 — CID 135082320

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1CCN(C)C.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/C13H22N.3CH3.Pt/c1-9-10(2)12(4)13(11(9)3)7-8-14(5)6;;;;/h7-8H2,1-6H3;3*1H3;/q;3*-1;
InChIKeyJRGUVWLTKAGIND-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.55
Rot. Bonds3

About CID 135082320

CID 135082320 (PubChem CID 135082320) has the molecular formula C16H31NPt-3 and a molecular weight of 432.51 g/mol.

Molecular Properties

Compound NameCID 135082320
PubChem CID135082320
Molecular FormulaC16H31NPt-3
Molecular Weight432.51 g/mol
Exact Mass432.21
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1CCN(C)C.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/C13H22N.3CH3.Pt/c1-9-10(2)12(4)13(11(9)3)7-8-14(5)6;;;;/h7-8H2,1-6H3;3*1H3;/q;3*-1;
InChIKeyJRGUVWLTKAGIND-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 135082320?
The IUPAC name of CID 135082320 (CID 135082320) is not available.
What is the SMILES notation for CID 135082320?
The canonical SMILES for CID 135082320 is C[C]1C(C)=C(C)C(C)=C1CCN(C)C.[CH3-].[CH3-].[CH3-].[Pt].
What is the InChIKey of CID 135082320?
The InChIKey is JRGUVWLTKAGIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.3CH3.Pt/c1-9-10(2)12(4)13(11(9)3)7-8-14(5)6;;;;/h7-8H2,1-6H3;3*1H3;/q;3*-1;.
What are the key properties of CID 135082320?
CID 135082320 has a molecular weight of 432.51 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135082320 is sourced from PubChem (CID 135082320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).