CID 135009286

C14H17OPt- — CID 135009286

IUPAC—
SMILES[C-]1=C2CCCC=C2C2CC3CCCC13O2.[Pt]
InChIInChI=1S/C14H17O.Pt/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14;/h6,11,13H,1-5,7-8H2;/q-1;
InChIKeyDGFKJNUMRVEMPP-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.17
Rot. Bonds

About CID 135009286

CID 135009286 (PubChem CID 135009286) has the molecular formula C14H17OPt- and a molecular weight of 396.37 g/mol.

Molecular Properties

Compound NameCID 135009286
PubChem CID135009286
Molecular FormulaC14H17OPt-
Molecular Weight396.37 g/mol
Exact Mass396.09
IUPAC Name—
SMILES[C-]1=C2CCCC=C2C2CC3CCCC13O2.[Pt]
InChIInChI=1S/C14H17O.Pt/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14;/h6,11,13H,1-5,7-8H2;/q-1;
InChIKeyDGFKJNUMRVEMPP-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.17
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 135009286?
The IUPAC name of CID 135009286 (CID 135009286) is not available.
What is the SMILES notation for CID 135009286?
The canonical SMILES for CID 135009286 is [C-]1=C2CCCC=C2C2CC3CCCC13O2.[Pt].
What is the InChIKey of CID 135009286?
The InChIKey is DGFKJNUMRVEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O.Pt/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14;/h6,11,13H,1-5,7-8H2;/q-1;.
What are the key properties of CID 135009286?
CID 135009286 has a molecular weight of 396.37 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135009286 is sourced from PubChem (CID 135009286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).