(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate

C6H9O7P — CID 156783562

IUPAC(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(OP(=O)(O)O)CO1
InChIInChI=1S/C6H9O7P/c1-2-5(7)11-3-6(4-12-6)13-14(8,9)10/h2H,1,3-4H2,(H2,8,9,10)
InChIKeyQJJPMHJHYIUWGU-UHFFFAOYSA-N
MW224.10 g/mol
LogP-0.45
Rot. Bonds5

About (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate

(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate (PubChem CID 156783562) has the molecular formula C6H9O7P and a molecular weight of 224.10 g/mol. Its IUPAC name is (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
PubChem CID156783562
Molecular FormulaC6H9O7P
Molecular Weight224.10 g/mol
Exact Mass224.01
IUPAC Name(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(OP(=O)(O)O)CO1
InChIInChI=1S/C6H9O7P/c1-2-5(7)11-3-6(4-12-6)13-14(8,9)10/h2H,1,3-4H2,(H2,8,9,10)
InChIKeyQJJPMHJHYIUWGU-UHFFFAOYSA-N
XLogP-0.45
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl prop-2-enoate
CID 71325039
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
CID 174904859
[2-[2-(2-prop-2-enoyloxyoxetan-2-yl)ethyl]oxetan-2-yl] prop-2-enoate
CID 175067757
phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
(1-tert-butyl-2,5-dihydroxycyclopentyl)methyl prop-2-enoate
CID 141037725
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550
(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl prop-2-enoate
CID 11252619
[4,4-difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl]methyl prop-2-enoate
CID 166810414

Frequently Asked Questions

What is the IUPAC name of (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate?
The IUPAC name of (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate (CID 156783562) is (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate?
The canonical SMILES for (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate is C=CC(=O)OCC1(OP(=O)(O)O)CO1.
What is the InChIKey of (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate?
The InChIKey is QJJPMHJHYIUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O7P/c1-2-5(7)11-3-6(4-12-6)13-14(8,9)10/h2H,1,3-4H2,(H2,8,9,10).
What are the key properties of (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate?
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate has a molecular weight of 224.10 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 156783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).