bis(prop-2-ynyl) 2-methoxypropanedioate

C10H10O5 — CID 88550340

IUPACbis(prop-2-ynyl) 2-methoxypropanedioate
SMILESC#CCOC(=O)C(OC)C(=O)OCC#C
InChIInChI=1S/C10H10O5/c1-4-6-14-9(11)8(13-3)10(12)15-7-5-2/h1-2,8H,6-7H2,3H3
InChIKeyCKYFQZOJFBZNHP-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.65
Rot. Bonds5

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

bis(prop-2-ynyl) 2-methoxypropanedioate (PubChem CID 88550340) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is bis(prop-2-ynyl) 2-methoxypropanedioate.

Molecular Properties

Compound Namebis(prop-2-ynyl) 2-methoxypropanedioate
PubChem CID88550340
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namebis(prop-2-ynyl) 2-methoxypropanedioate
SMILESC#CCOC(=O)C(OC)C(=O)OCC#C
InChIInChI=1S/C10H10O5/c1-4-6-14-9(11)8(13-3)10(12)15-7-5-2/h1-2,8H,6-7H2,3H3
InChIKeyCKYFQZOJFBZNHP-UHFFFAOYSA-N
XLogP-0.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(prop-2-ynyl) 2-methoxypropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-ynyl) 2-methoxypropanedioate?
The IUPAC name of bis(prop-2-ynyl) 2-methoxypropanedioate (CID 88550340) is bis(prop-2-ynyl) 2-methoxypropanedioate.
What is the SMILES notation for bis(prop-2-ynyl) 2-methoxypropanedioate?
The canonical SMILES for bis(prop-2-ynyl) 2-methoxypropanedioate is C#CCOC(=O)C(OC)C(=O)OCC#C.
What is the InChIKey of bis(prop-2-ynyl) 2-methoxypropanedioate?
The InChIKey is CKYFQZOJFBZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-4-6-14-9(11)8(13-3)10(12)15-7-5-2/h1-2,8H,6-7H2,3H3.
What are the key properties of bis(prop-2-ynyl) 2-methoxypropanedioate?
bis(prop-2-ynyl) 2-methoxypropanedioate has a molecular weight of 210.18 g/mol, XLogP of -0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-ynyl) 2-methoxypropanedioate is sourced from PubChem (CID 88550340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).