bis(prop-2-ynyl) 2-formyloxybutanedioate

C11H10O6 — CID 88549384

IUPACbis(prop-2-ynyl) 2-formyloxybutanedioate
SMILESC#CCOC(=O)CC(OC=O)C(=O)OCC#C
InChIInChI=1S/C11H10O6/c1-3-5-15-10(13)7-9(17-8-12)11(14)16-6-4-2/h1-2,8-9H,5-7H2
InChIKeyGGMKKNJAQRHBEU-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.73
Rot. Bonds7

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

bis(prop-2-ynyl) 2-formyloxybutanedioate (PubChem CID 88549384) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is bis(prop-2-ynyl) 2-formyloxybutanedioate.

Molecular Properties

Compound Namebis(prop-2-ynyl) 2-formyloxybutanedioate
PubChem CID88549384
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Namebis(prop-2-ynyl) 2-formyloxybutanedioate
SMILESC#CCOC(=O)CC(OC=O)C(=O)OCC#C
InChIInChI=1S/C11H10O6/c1-3-5-15-10(13)7-9(17-8-12)11(14)16-6-4-2/h1-2,8-9H,5-7H2
InChIKeyGGMKKNJAQRHBEU-UHFFFAOYSA-N
XLogP-0.73
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-formyloxybutanedioate?
The IUPAC name of bis(prop-2-ynyl) 2-formyloxybutanedioate (CID 88549384) is bis(prop-2-ynyl) 2-formyloxybutanedioate.
What is the SMILES notation for bis(prop-2-ynyl) 2-formyloxybutanedioate?
The canonical SMILES for bis(prop-2-ynyl) 2-formyloxybutanedioate is C#CCOC(=O)CC(OC=O)C(=O)OCC#C.
What is the InChIKey of bis(prop-2-ynyl) 2-formyloxybutanedioate?
The InChIKey is GGMKKNJAQRHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c1-3-5-15-10(13)7-9(17-8-12)11(14)16-6-4-2/h1-2,8-9H,5-7H2.
What are the key properties of bis(prop-2-ynyl) 2-formyloxybutanedioate?
bis(prop-2-ynyl) 2-formyloxybutanedioate has a molecular weight of 238.19 g/mol, XLogP of -0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-ynyl) 2-formyloxybutanedioate is sourced from PubChem (CID 88549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).