CID 11216330

C24H14CrO12W — CID 11216330

IUPAC—
SMILESCOC(=[Cr])/C=C/c1ccc(/C=C/C(=[W])OC)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H14O2.10CO.Cr.W/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2;10*1-2;;/h3-10H,1-2H3;;;;;;;;;;;;/b5-3+,6-4+;;;;;;;;;;;;
InChIKeyUXJBOPOSNDZMSX-PKCKVWIRSA-N
MW730.20 g/mol
LogP1.98
Rot. Bonds6

About CID 11216330

CID 11216330 (PubChem CID 11216330) has the molecular formula C24H14CrO12W and a molecular weight of 730.20 g/mol.

Molecular Properties

Compound NameCID 11216330
PubChem CID11216330
Molecular FormulaC24H14CrO12W
Molecular Weight730.20 g/mol
Exact Mass729.94
IUPAC Name—
SMILESCOC(=[Cr])/C=C/c1ccc(/C=C/C(=[W])OC)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H14O2.10CO.Cr.W/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2;10*1-2;;/h3-10H,1-2H3;;;;;;;;;;;;/b5-3+,6-4+;;;;;;;;;;;;
InChIKeyUXJBOPOSNDZMSX-PKCKVWIRSA-N
XLogP1.98
TPSA217.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500730.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11216330?
The IUPAC name of CID 11216330 (CID 11216330) is not available.
What is the SMILES notation for CID 11216330?
The canonical SMILES for CID 11216330 is COC(=[Cr])/C=C/c1ccc(/C=C/C(=[W])OC)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of CID 11216330?
The InChIKey is UXJBOPOSNDZMSX-PKCKVWIRSA-N. The full InChI is InChI=1S/C14H14O2.10CO.Cr.W/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2;10*1-2;;/h3-10H,1-2H3;;;;;;;;;;;;/b5-3+,6-4+;;;;;;;;;;;;.
What are the key properties of CID 11216330?
CID 11216330 has a molecular weight of 730.20 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11216330 is sourced from PubChem (CID 11216330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).