(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate

C6H9O6P — CID 66648582

IUPAC(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COP(=O)(O)O1
InChIInChI=1S/C6H9O6P/c1-4(2)6(7)11-5-3-10-13(8,9)12-5/h5H,1,3H2,2H3,(H,8,9)
InChIKeyXPTAYXCXYFWRIF-UHFFFAOYSA-N
MW208.11 g/mol
LogP0.58
Rot. Bonds2

About (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate

(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate (PubChem CID 66648582) has the molecular formula C6H9O6P and a molecular weight of 208.11 g/mol. Its IUPAC name is (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
PubChem CID66648582
Molecular FormulaC6H9O6P
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COP(=O)(O)O1
InChIInChI=1S/C6H9O6P/c1-4(2)6(7)11-5-3-10-13(8,9)12-5/h5H,1,3H2,2H3,(H,8,9)
InChIKeyXPTAYXCXYFWRIF-UHFFFAOYSA-N
XLogP0.58
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183676
(8-methyl-1,4-dioxocan-2-yl) 2-methylprop-2-enoate
CID 58183602
(5-methyl-1,4-oxathian-2-yl) 2-methylprop-2-enoate
CID 58183697
(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
CID 19364552
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
(2,2-dioxooxathiolan-4-yl) 2-methylprop-2-enoate
CID 90002294
[(3R,4R,5S)-6-acetyloxy-4,5-bis(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 144922848

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate (CID 66648582) is (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1COP(=O)(O)O1.
What is the InChIKey of (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate?
The InChIKey is XPTAYXCXYFWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O6P/c1-4(2)6(7)11-5-3-10-13(8,9)12-5/h5H,1,3H2,2H3,(H,8,9).
What are the key properties of (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate?
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate has a molecular weight of 208.11 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 66648582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).