prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate

C7H7O4P — CID 152628809

IUPACprop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate
SMILESC#CCOC(=O)COCC#P=O
InChIInChI=1S/C7H7O4P/c1-2-3-11-7(8)6-10-4-5-12-9/h1H,3-4,6H2
InChIKeyZDBSMZVWRMYCSK-UHFFFAOYSA-N
MW186.10 g/mol
LogP0.43
Rot. Bonds4

About prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate

prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate (PubChem CID 152628809) has the molecular formula C7H7O4P and a molecular weight of 186.10 g/mol. Its IUPAC name is prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate.

Molecular Properties

Compound Nameprop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate
PubChem CID152628809
Molecular FormulaC7H7O4P
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Nameprop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate
SMILESC#CCOC(=O)COCC#P=O
InChIInChI=1S/C7H7O4P/c1-2-3-11-7(8)6-10-4-5-12-9/h1H,3-4,6H2
InChIKeyZDBSMZVWRMYCSK-UHFFFAOYSA-N
XLogP0.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynyl 2-ethoxyacetate
CID 14897387
prop-2-ynyl 2-formyloxyacetate
CID 54221202
prop-2-ynyl 2-(2-dimethylphosphorylethoxy)acetate
CID 152629296
bis(prop-2-ynyl) 2-hydroxybutanedioate
CID 13348843
prop-2-ynyl 2-prop-1-ynoxycarbonyloxyacetate
CID 88550645
prop-2-ynyl 2-nitroacetate
CID 11105476
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
prop-2-ynyl 2-acetamidoacetate
CID 131210561
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
benzyl 2-prop-2-ynoxyethaneperoxoate
CID 150274191
prop-2-ynyl 4-cyanobutanoate
CID 88550712

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate?
The IUPAC name of prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate (CID 152628809) is prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate.
What is the SMILES notation for prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate?
The canonical SMILES for prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate is C#CCOC(=O)COCC#P=O.
What is the InChIKey of prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate?
The InChIKey is ZDBSMZVWRMYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O4P/c1-2-3-11-7(8)6-10-4-5-12-9/h1H,3-4,6H2.
What are the key properties of prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate?
prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate has a molecular weight of 186.10 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-[2-(oxo-λ5-phosphanylidyne)ethoxy]acetate is sourced from PubChem (CID 152628809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).