actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide

C13H28AcNO- — CID 18738731

IUPACactinium;(12-hydroxy-2-methyldodecan-2-yl)azanide
SMILESCC(C)([NH-])CCCCCCCCCCO.[Ac]
InChIInChI=1S/C13H28NO.Ac/c1-13(2,14)11-9-7-5-3-4-6-8-10-12-15;/h14-15H,3-12H2,1-2H3;/q-1;
InChIKeyDESLOCBUNHQLHC-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.32
Rot. Bonds10

About actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide

actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide (PubChem CID 18738731) has the molecular formula C13H28AcNO- and a molecular weight of 441.37 g/mol. Its IUPAC name is actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide.

Molecular Properties

Compound Nameactinium;(12-hydroxy-2-methyldodecan-2-yl)azanide
PubChem CID18738731
Molecular FormulaC13H28AcNO-
Molecular Weight441.37 g/mol
Exact Mass441.25
IUPAC Nameactinium;(12-hydroxy-2-methyldodecan-2-yl)azanide
SMILESCC(C)([NH-])CCCCCCCCCCO.[Ac]
InChIInChI=1S/C13H28NO.Ac/c1-13(2,14)11-9-7-5-3-4-6-8-10-12-15;/h14-15H,3-12H2,1-2H3;/q-1;
InChIKeyDESLOCBUNHQLHC-UHFFFAOYSA-N
XLogP4.32
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide?
The IUPAC name of actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide (CID 18738731) is actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide.
What is the SMILES notation for actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide?
The canonical SMILES for actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide is CC(C)([NH-])CCCCCCCCCCO.[Ac].
What is the InChIKey of actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide?
The InChIKey is DESLOCBUNHQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO.Ac/c1-13(2,14)11-9-7-5-3-4-6-8-10-12-15;/h14-15H,3-12H2,1-2H3;/q-1;.
What are the key properties of actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide?
actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide has a molecular weight of 441.37 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(12-hydroxy-2-methyldodecan-2-yl)azanide is sourced from PubChem (CID 18738731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).