CID 134927006

C22H37MnO3P2Te — CID 134927006

IUPAC—
SMILESCCP(CC)CC.CCP(CC)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Te]Cc1ccccc1
InChIInChI=1S/C7H7Te.2C6H15P.3CO.Mn/c8-6-7-4-2-1-3-5-7;2*1-4-7(5-2)6-3;3*1-2;/h1-5H,6H2;2*4-6H2,1-3H3;;;;
InChIKeyRGRRKZSFOLEBQD-UHFFFAOYSA-N
MW594.02 g/mol
LogP6.30
Rot. Bonds7

About CID 134927006

CID 134927006 (PubChem CID 134927006) has the molecular formula C22H37MnO3P2Te and a molecular weight of 594.02 g/mol.

Molecular Properties

Compound NameCID 134927006
PubChem CID134927006
Molecular FormulaC22H37MnO3P2Te
Molecular Weight594.02 g/mol
Exact Mass596.07
IUPAC Name—
SMILESCCP(CC)CC.CCP(CC)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Te]Cc1ccccc1
InChIInChI=1S/C7H7Te.2C6H15P.3CO.Mn/c8-6-7-4-2-1-3-5-7;2*1-4-7(5-2)6-3;3*1-2;/h1-5H,6H2;2*4-6H2,1-3H3;;;;
InChIKeyRGRRKZSFOLEBQD-UHFFFAOYSA-N
XLogP6.30
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.02
LogP ≤ 56.30
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134927006?
The IUPAC name of CID 134927006 (CID 134927006) is not available.
What is the SMILES notation for CID 134927006?
The canonical SMILES for CID 134927006 is CCP(CC)CC.CCP(CC)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Te]Cc1ccccc1.
What is the InChIKey of CID 134927006?
The InChIKey is RGRRKZSFOLEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Te.2C6H15P.3CO.Mn/c8-6-7-4-2-1-3-5-7;2*1-4-7(5-2)6-3;3*1-2;/h1-5H,6H2;2*4-6H2,1-3H3;;;;.
What are the key properties of CID 134927006?
CID 134927006 has a molecular weight of 594.02 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134927006 is sourced from PubChem (CID 134927006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).