CID 134975745

C14H20CoO2P — CID 134975745

IUPAC—
SMILESCC(C)(C)[C]1C=CC(C(C)(C)C)=P1.[C-]#[O+].[C-]#[O+].[Co]
InChIInChI=1S/C12H20P.2CO.Co/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-2;/h7-8H,1-6H3;;;
InChIKeyUPQNKLRGAXUMGI-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.22
Rot. Bonds

About CID 134975745

CID 134975745 (PubChem CID 134975745) has the molecular formula C14H20CoO2P and a molecular weight of 310.22 g/mol.

Molecular Properties

Compound NameCID 134975745
PubChem CID134975745
Molecular FormulaC14H20CoO2P
Molecular Weight310.22 g/mol
Exact Mass310.05
IUPAC Name—
SMILESCC(C)(C)[C]1C=CC(C(C)(C)C)=P1.[C-]#[O+].[C-]#[O+].[Co]
InChIInChI=1S/C12H20P.2CO.Co/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-2;/h7-8H,1-6H3;;;
InChIKeyUPQNKLRGAXUMGI-UHFFFAOYSA-N
XLogP4.22
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134975745?
The IUPAC name of CID 134975745 (CID 134975745) is not available.
What is the SMILES notation for CID 134975745?
The canonical SMILES for CID 134975745 is CC(C)(C)[C]1C=CC(C(C)(C)C)=P1.[C-]#[O+].[C-]#[O+].[Co].
What is the InChIKey of CID 134975745?
The InChIKey is UPQNKLRGAXUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20P.2CO.Co/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-2;/h7-8H,1-6H3;;;.
What are the key properties of CID 134975745?
CID 134975745 has a molecular weight of 310.22 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134975745 is sourced from PubChem (CID 134975745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).