2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate

C6H10O3 — CID 59152710

IUPAC2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate
SMILES[2H]C([2H])([2H])C([2H])([2H])C(=O)OC(=O)C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyWYVAMUWZEOHJOQ-MWUKXHIBSA-N
MW140.20 g/mol
LogP0.88
Rot. Bonds4

About 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate

2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate (PubChem CID 59152710) has the molecular formula C6H10O3 and a molecular weight of 140.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate
PubChem CID59152710
Molecular FormulaC6H10O3
Molecular Weight140.20 g/mol
Exact Mass140.13
IUPAC Name2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate
SMILES[2H]C([2H])([2H])C([2H])([2H])C(=O)OC(=O)C([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyWYVAMUWZEOHJOQ-MWUKXHIBSA-N
XLogP0.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate?
The IUPAC name of 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate (CID 59152710) is 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate.
What is the SMILES notation for 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate?
The canonical SMILES for 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate is [2H]C([2H])([2H])C([2H])([2H])C(=O)OC(=O)C([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate?
The InChIKey is WYVAMUWZEOHJOQ-MWUKXHIBSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2.
What are the key properties of 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate?
2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate has a molecular weight of 140.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentadeuteriopropanoyl 2,2,3,3,3-pentadeuteriopropanoate is sourced from PubChem (CID 59152710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).