CID 134888945

C18H40P4Zr- — CID 134888945

IUPAC—
SMILESCP(C)CCP(C)C.CP(C)CCP(C)C.[CH3-].[CH]1C=CC=C1.[Zr]
InChIInChI=1S/2C6H16P2.C5H5.CH3.Zr/c2*1-7(2)5-6-8(3)4;1-2-4-5-3-1;;/h2*5-6H2,1-4H3;1-5H;1H3;/q;;;-1;
InChIKeyXJFLNKPXRUKYMF-UHFFFAOYSA-N
MW471.64 g/mol
LogP6.70
Rot. Bonds6

About CID 134888945

CID 134888945 (PubChem CID 134888945) has the molecular formula C18H40P4Zr- and a molecular weight of 471.64 g/mol.

Molecular Properties

Compound NameCID 134888945
PubChem CID134888945
Molecular FormulaC18H40P4Zr-
Molecular Weight471.64 g/mol
Exact Mass470.11
IUPAC Name—
SMILESCP(C)CCP(C)C.CP(C)CCP(C)C.[CH3-].[CH]1C=CC=C1.[Zr]
InChIInChI=1S/2C6H16P2.C5H5.CH3.Zr/c2*1-7(2)5-6-8(3)4;1-2-4-5-3-1;;/h2*5-6H2,1-4H3;1-5H;1H3;/q;;;-1;
InChIKeyXJFLNKPXRUKYMF-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134888945?
The IUPAC name of CID 134888945 (CID 134888945) is not available.
What is the SMILES notation for CID 134888945?
The canonical SMILES for CID 134888945 is CP(C)CCP(C)C.CP(C)CCP(C)C.[CH3-].[CH]1C=CC=C1.[Zr].
What is the InChIKey of CID 134888945?
The InChIKey is XJFLNKPXRUKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16P2.C5H5.CH3.Zr/c2*1-7(2)5-6-8(3)4;1-2-4-5-3-1;;/h2*5-6H2,1-4H3;1-5H;1H3;/q;;;-1;.
What are the key properties of CID 134888945?
CID 134888945 has a molecular weight of 471.64 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888945 is sourced from PubChem (CID 134888945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).