CID 134979883

C17H32P2Zr- — CID 134979883

IUPAC—
SMILESC=CC=C.CP(C)CCP(C)C.[CH2-]C.[CH]1C=CC=C1.[Zr]
InChIInChI=1S/C6H16P2.C5H5.C4H6.C2H5.Zr/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;1-3-4-2;1-2;/h5-6H2,1-4H3;1-5H;3-4H,1-2H2;1H2,2H3;/q;;;-1;
InChIKeyBJQJPFFNJVTFPK-UHFFFAOYSA-N
MW389.62 g/mol
LogP5.98
Rot. Bonds4

About CID 134979883

CID 134979883 (PubChem CID 134979883) has the molecular formula C17H32P2Zr- and a molecular weight of 389.62 g/mol.

Molecular Properties

Compound NameCID 134979883
PubChem CID134979883
Molecular FormulaC17H32P2Zr-
Molecular Weight389.62 g/mol
Exact Mass388.10
IUPAC Name—
SMILESC=CC=C.CP(C)CCP(C)C.[CH2-]C.[CH]1C=CC=C1.[Zr]
InChIInChI=1S/C6H16P2.C5H5.C4H6.C2H5.Zr/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;1-3-4-2;1-2;/h5-6H2,1-4H3;1-5H;3-4H,1-2H2;1H2,2H3;/q;;;-1;
InChIKeyBJQJPFFNJVTFPK-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 55.98
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134979883?
The IUPAC name of CID 134979883 (CID 134979883) is not available.
What is the SMILES notation for CID 134979883?
The canonical SMILES for CID 134979883 is C=CC=C.CP(C)CCP(C)C.[CH2-]C.[CH]1C=CC=C1.[Zr].
What is the InChIKey of CID 134979883?
The InChIKey is BJQJPFFNJVTFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16P2.C5H5.C4H6.C2H5.Zr/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;1-3-4-2;1-2;/h5-6H2,1-4H3;1-5H;3-4H,1-2H2;1H2,2H3;/q;;;-1;.
What are the key properties of CID 134979883?
CID 134979883 has a molecular weight of 389.62 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134979883 is sourced from PubChem (CID 134979883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).