palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane

C11H14NO2Pd- — CID 59101406

IUPACpalladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane
SMILES[Pd].c1ccc(OCC2CC[N-]OC2)cc1
InChIInChI=1S/C11H14NO2.Pd/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10;/h1-5,10H,6-9H2;/q-1;
InChIKeyHKKFDJRIHAAZEL-UHFFFAOYSA-N
MW298.66 g/mol
LogP2.39
Rot. Bonds3

About palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane

palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane (PubChem CID 59101406) has the molecular formula C11H14NO2Pd- and a molecular weight of 298.66 g/mol. Its IUPAC name is palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane.

Molecular Properties

Compound Namepalladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane
PubChem CID59101406
Molecular FormulaC11H14NO2Pd-
Molecular Weight298.66 g/mol
Exact Mass298.01
IUPAC Namepalladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane
SMILES[Pd].c1ccc(OCC2CC[N-]OC2)cc1
InChIInChI=1S/C11H14NO2.Pd/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10;/h1-5,10H,6-9H2;/q-1;
InChIKeyHKKFDJRIHAAZEL-UHFFFAOYSA-N
XLogP2.39
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane?
The IUPAC name of palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane (CID 59101406) is palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane.
What is the SMILES notation for palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane?
The canonical SMILES for palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane is [Pd].c1ccc(OCC2CC[N-]OC2)cc1.
What is the InChIKey of palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane?
The InChIKey is HKKFDJRIHAAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2.Pd/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10;/h1-5,10H,6-9H2;/q-1;.
What are the key properties of palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane?
palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane has a molecular weight of 298.66 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane is sourced from PubChem (CID 59101406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).