dipropan-2-yl 2-hydroxyiminopropanedioate

C9H15NO5 — CID 22104798

IUPACdipropan-2-yl 2-hydroxyiminopropanedioate
SMILESCC(C)OC(=O)C(=NO)C(=O)OC(C)C
InChIInChI=1S/C9H15NO5/c1-5(2)14-8(11)7(10-13)9(12)15-6(3)4/h5-6,13H,1-4H3
InChIKeyVDDKWPQCSFWGPK-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.72
Rot. Bonds4

About dipropan-2-yl 2-hydroxyiminopropanedioate

dipropan-2-yl 2-hydroxyiminopropanedioate (PubChem CID 22104798) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is dipropan-2-yl 2-hydroxyiminopropanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-hydroxyiminopropanedioate
PubChem CID22104798
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namedipropan-2-yl 2-hydroxyiminopropanedioate
SMILESCC(C)OC(=O)C(=NO)C(=O)OC(C)C
InChIInChI=1S/C9H15NO5/c1-5(2)14-8(11)7(10-13)9(12)15-6(3)4/h5-6,13H,1-4H3
InChIKeyVDDKWPQCSFWGPK-UHFFFAOYSA-N
XLogP0.72
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-hydroxyiminopropanedioate?
The IUPAC name of dipropan-2-yl 2-hydroxyiminopropanedioate (CID 22104798) is dipropan-2-yl 2-hydroxyiminopropanedioate.
What is the SMILES notation for dipropan-2-yl 2-hydroxyiminopropanedioate?
The canonical SMILES for dipropan-2-yl 2-hydroxyiminopropanedioate is CC(C)OC(=O)C(=NO)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-hydroxyiminopropanedioate?
The InChIKey is VDDKWPQCSFWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5(2)14-8(11)7(10-13)9(12)15-6(3)4/h5-6,13H,1-4H3.
What are the key properties of dipropan-2-yl 2-hydroxyiminopropanedioate?
dipropan-2-yl 2-hydroxyiminopropanedioate has a molecular weight of 217.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-hydroxyiminopropanedioate is sourced from PubChem (CID 22104798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).