6-imidazol-1-id-4-ylhexanoic acid;palladium

C9H13N2O2Pd- — CID 162757845

IUPAC6-imidazol-1-id-4-ylhexanoic acid;palladium
SMILESO=C(O)CCCCCc1c[n-]cn1.[Pd]
InChIInChI=1S/C9H14N2O2.Pd/c12-9(13)5-3-1-2-4-8-6-10-7-11-8;/h6-7H,1-5H2,(H2,10,11,12,13);/p-1
InChIKeyQCGCXFHCQBFQNW-UHFFFAOYSA-M
MW287.63 g/mol
LogP1.22
Rot. Bonds6

About 6-imidazol-1-id-4-ylhexanoic acid;palladium

6-imidazol-1-id-4-ylhexanoic acid;palladium (PubChem CID 162757845) has the molecular formula C9H13N2O2Pd- and a molecular weight of 287.63 g/mol. Its IUPAC name is 6-imidazol-1-id-4-ylhexanoic acid;palladium.

Molecular Properties

Compound Name6-imidazol-1-id-4-ylhexanoic acid;palladium
PubChem CID162757845
Molecular FormulaC9H13N2O2Pd-
Molecular Weight287.63 g/mol
Exact Mass287.00
IUPAC Name6-imidazol-1-id-4-ylhexanoic acid;palladium
SMILESO=C(O)CCCCCc1c[n-]cn1.[Pd]
InChIInChI=1S/C9H14N2O2.Pd/c12-9(13)5-3-1-2-4-8-6-10-7-11-8;/h6-7H,1-5H2,(H2,10,11,12,13);/p-1
InChIKeyQCGCXFHCQBFQNW-UHFFFAOYSA-M
XLogP1.22
TPSA64.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
triacontanedioic acid
CID 5322010
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-id-4-ylhexanoic acid;palladium?
The IUPAC name of 6-imidazol-1-id-4-ylhexanoic acid;palladium (CID 162757845) is 6-imidazol-1-id-4-ylhexanoic acid;palladium.
What is the SMILES notation for 6-imidazol-1-id-4-ylhexanoic acid;palladium?
The canonical SMILES for 6-imidazol-1-id-4-ylhexanoic acid;palladium is O=C(O)CCCCCc1c[n-]cn1.[Pd].
What is the InChIKey of 6-imidazol-1-id-4-ylhexanoic acid;palladium?
The InChIKey is QCGCXFHCQBFQNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N2O2.Pd/c12-9(13)5-3-1-2-4-8-6-10-7-11-8;/h6-7H,1-5H2,(H2,10,11,12,13);/p-1.
What are the key properties of 6-imidazol-1-id-4-ylhexanoic acid;palladium?
6-imidazol-1-id-4-ylhexanoic acid;palladium has a molecular weight of 287.63 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-id-4-ylhexanoic acid;palladium is sourced from PubChem (CID 162757845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).