bis(prop-2-ynyl) 2-hydroxybutanedioate

C10H10O5 — CID 13348843

IUPACbis(prop-2-ynyl) 2-hydroxybutanedioate
SMILESC#CCOC(=O)CC(O)C(=O)OCC#C
InChIInChI=1S/C10H10O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h1-2,8,11H,5-7H2
InChIKeyOAUFUUDLYZBMMA-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.91
Rot. Bonds5

About bis(prop-2-ynyl) 2-hydroxybutanedioate

bis(prop-2-ynyl) 2-hydroxybutanedioate (PubChem CID 13348843) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is bis(prop-2-ynyl) 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis(prop-2-ynyl) 2-hydroxybutanedioate
PubChem CID13348843
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namebis(prop-2-ynyl) 2-hydroxybutanedioate
SMILESC#CCOC(=O)CC(O)C(=O)OCC#C
InChIInChI=1S/C10H10O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h1-2,8,11H,5-7H2
InChIKeyOAUFUUDLYZBMMA-UHFFFAOYSA-N
XLogP-0.91
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-ynyl) 2-hydroxybutanedioate?
The IUPAC name of bis(prop-2-ynyl) 2-hydroxybutanedioate (CID 13348843) is bis(prop-2-ynyl) 2-hydroxybutanedioate.
What is the SMILES notation for bis(prop-2-ynyl) 2-hydroxybutanedioate?
The canonical SMILES for bis(prop-2-ynyl) 2-hydroxybutanedioate is C#CCOC(=O)CC(O)C(=O)OCC#C.
What is the InChIKey of bis(prop-2-ynyl) 2-hydroxybutanedioate?
The InChIKey is OAUFUUDLYZBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h1-2,8,11H,5-7H2.
What are the key properties of bis(prop-2-ynyl) 2-hydroxybutanedioate?
bis(prop-2-ynyl) 2-hydroxybutanedioate has a molecular weight of 210.18 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-ynyl) 2-hydroxybutanedioate is sourced from PubChem (CID 13348843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).