CID 16686376

C22H32FeP2+2 — CID 16686376

IUPAC—
SMILES[CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[Fe+2]
InChIInChI=1S/2C11H16P.Fe/c2*1-2-6-10(7-3-1)12-11-8-4-5-9-11;/h2*4-5,8-10,12H,1-3,6-7H2;/q;;+2
InChIKeyHNEQGMRJNWGAGM-UHFFFAOYSA-N
MW414.29 g/mol
LogP6.72
Rot. Bonds4

About CID 16686376

CID 16686376 (PubChem CID 16686376) has the molecular formula C22H32FeP2+2 and a molecular weight of 414.29 g/mol.

Molecular Properties

Compound NameCID 16686376
PubChem CID16686376
Molecular FormulaC22H32FeP2+2
Molecular Weight414.29 g/mol
Exact Mass414.13
IUPAC Name—
SMILES[CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[Fe+2]
InChIInChI=1S/2C11H16P.Fe/c2*1-2-6-10(7-3-1)12-11-8-4-5-9-11;/h2*4-5,8-10,12H,1-3,6-7H2;/q;;+2
InChIKeyHNEQGMRJNWGAGM-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-(4-methylphenyl)phosphane
CID 21096698
bromo(cyclohexyl)phosphane
CID 169216983
cyclopentyl(phenyl)phosphane;hydrochloride
CID 174737721
di(cyclodecyl)phosphane
CID 18705980
cycloheptyl(cyclopentyl)phosphane
CID 69425956
CID 10501709
CID 10501709
cyclobutyl(cyclooctyl)phosphane
CID 69424806
dicyclohexylphosphane;gold
CID 167367243
cyclododecyl(cyclopropyl)phosphane
CID 69425218
CID 11079317
CID 11079317
dicyclopentylphosphane
CID 550272
cycloundecyl(methyl)phosphane
CID 69425221

Frequently Asked Questions

What is the IUPAC name of CID 16686376?
The IUPAC name of CID 16686376 (CID 16686376) is not available.
What is the SMILES notation for CID 16686376?
The canonical SMILES for CID 16686376 is [CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[CH]1[CH][CH][C](PC2CCCCC2)[CH]1.[Fe+2].
What is the InChIKey of CID 16686376?
The InChIKey is HNEQGMRJNWGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16P.Fe/c2*1-2-6-10(7-3-1)12-11-8-4-5-9-11;/h2*4-5,8-10,12H,1-3,6-7H2;/q;;+2.
What are the key properties of CID 16686376?
CID 16686376 has a molecular weight of 414.29 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16686376 is sourced from PubChem (CID 16686376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).