[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium

C8H15NpO2- — CID 134966143

IUPAC[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium
SMILES[2H][C@H](C)[CH-]OC(=O)C(C)(C)C.[Np]
InChIInChI=1S/C8H15O2.Np/c1-5-6-10-7(9)8(2,3)4;/h6H,5H2,1-4H3;/q-1;/i5D;/t5-;/m1./s1
InChIKeyIKFZXRMOCGKJPU-HRQKYMAYSA-N
MW381.21 g/mol
LogP2.15
Rot. Bonds2

About [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium

[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium (PubChem CID 134966143) has the molecular formula C8H15NpO2- and a molecular weight of 381.21 g/mol. Its IUPAC name is [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium.

Molecular Properties

Compound Name[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium
PubChem CID134966143
Molecular FormulaC8H15NpO2-
Molecular Weight381.21 g/mol
Exact Mass380.16
IUPAC Name[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium
SMILES[2H][C@H](C)[CH-]OC(=O)C(C)(C)C.[Np]
InChIInChI=1S/C8H15O2.Np/c1-5-6-10-7(9)8(2,3)4;/h6H,5H2,1-4H3;/q-1;/i5D;/t5-;/m1./s1
InChIKeyIKFZXRMOCGKJPU-HRQKYMAYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium?
The IUPAC name of [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium (CID 134966143) is [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium.
What is the SMILES notation for [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium?
The canonical SMILES for [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium is [2H][C@H](C)[CH-]OC(=O)C(C)(C)C.[Np].
What is the InChIKey of [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium?
The InChIKey is IKFZXRMOCGKJPU-HRQKYMAYSA-N. The full InChI is InChI=1S/C8H15O2.Np/c1-5-6-10-7(9)8(2,3)4;/h6H,5H2,1-4H3;/q-1;/i5D;/t5-;/m1./s1.
What are the key properties of [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium?
[(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium has a molecular weight of 381.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-deuteriopropyl] 2,2-dimethylpropanoate;neptunium is sourced from PubChem (CID 134966143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).