CID 11259646

C14H10O6W — CID 11259646

IUPAC—
SMILESCO[C]C#CC1=CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C9H10O.5CO.W/c1-10-8-4-7-9-5-2-3-6-9;5*1-2;/h5H,2-3,6H2,1H3;;;;;;
InChIKeyOUNUVWSPCOGZNU-UHFFFAOYSA-N
MW458.07 g/mol
LogP1.60
Rot. Bonds1

About CID 11259646

CID 11259646 (PubChem CID 11259646) has the molecular formula C14H10O6W and a molecular weight of 458.07 g/mol.

Molecular Properties

Compound NameCID 11259646
PubChem CID11259646
Molecular FormulaC14H10O6W
Molecular Weight458.07 g/mol
Exact Mass458.00
IUPAC Name—
SMILESCO[C]C#CC1=CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C9H10O.5CO.W/c1-10-8-4-7-9-5-2-3-6-9;5*1-2;/h5H,2-3,6H2,1H3;;;;;;
InChIKeyOUNUVWSPCOGZNU-UHFFFAOYSA-N
XLogP1.60
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.07
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11259646?
The IUPAC name of CID 11259646 (CID 11259646) is not available.
What is the SMILES notation for CID 11259646?
The canonical SMILES for CID 11259646 is CO[C]C#CC1=CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of CID 11259646?
The InChIKey is OUNUVWSPCOGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.5CO.W/c1-10-8-4-7-9-5-2-3-6-9;5*1-2;/h5H,2-3,6H2,1H3;;;;;;.
What are the key properties of CID 11259646?
CID 11259646 has a molecular weight of 458.07 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11259646 is sourced from PubChem (CID 11259646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).