CID 134889006

C15H35MoP3- — CID 134889006

IUPAC—
SMILESCP(C)C.CP(C)C.CP(C)C.[CH3-].[CH]1C=CC=C1.[Mo]
InChIInChI=1S/C5H5.3C3H9P.CH3.Mo/c1-2-4-5-3-1;3*1-4(2)3;;/h1-5H;3*1-3H3;1H3;/q;;;;-1;
InChIKeyHFSKRAOCJVYGJJ-UHFFFAOYSA-N
MW404.31 g/mol
LogP5.84
Rot. Bonds

About CID 134889006

CID 134889006 (PubChem CID 134889006) has the molecular formula C15H35MoP3- and a molecular weight of 404.31 g/mol.

Molecular Properties

Compound NameCID 134889006
PubChem CID134889006
Molecular FormulaC15H35MoP3-
Molecular Weight404.31 g/mol
Exact Mass406.10
IUPAC Name—
SMILESCP(C)C.CP(C)C.CP(C)C.[CH3-].[CH]1C=CC=C1.[Mo]
InChIInChI=1S/C5H5.3C3H9P.CH3.Mo/c1-2-4-5-3-1;3*1-4(2)3;;/h1-5H;3*1-3H3;1H3;/q;;;;-1;
InChIKeyHFSKRAOCJVYGJJ-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 55.84
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 134889006?
The IUPAC name of CID 134889006 (CID 134889006) is not available.
What is the SMILES notation for CID 134889006?
The canonical SMILES for CID 134889006 is CP(C)C.CP(C)C.CP(C)C.[CH3-].[CH]1C=CC=C1.[Mo].
What is the InChIKey of CID 134889006?
The InChIKey is HFSKRAOCJVYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C3H9P.CH3.Mo/c1-2-4-5-3-1;3*1-4(2)3;;/h1-5H;3*1-3H3;1H3;/q;;;;-1;.
What are the key properties of CID 134889006?
CID 134889006 has a molecular weight of 404.31 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134889006 is sourced from PubChem (CID 134889006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).