[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C12H18O6 — CID 87558283

IUPAC[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(CO)COC(=O)C(=C)C
InChIInChI=1S/C12H18O6/c1-8(2)10(14)17-6-12(16,5-13)7-18-11(15)9(3)4/h13,16H,1,3,5-7H2,2,4H3
InChIKeyIJRZZQJIXOMBPB-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.05
Rot. Bonds7

About [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 87558283) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID87558283
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(CO)COC(=O)C(=C)C
InChIInChI=1S/C12H18O6/c1-8(2)10(14)17-6-12(16,5-13)7-18-11(15)9(3)4/h13,16H,1,3,5-7H2,2,4H3
InChIKeyIJRZZQJIXOMBPB-UHFFFAOYSA-N
XLogP-0.05
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
[2-(hydroxymethyl)-3-methoxy-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 54077344
[2-(hydroxymethyl)-2-(methoxymethyl)butyl] 2-methylprop-2-enoate
CID 87795028
azane;hydroxymethyl 2-methylprop-2-enoate
CID 172791973
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate;oxolane
CID 90200711
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622
[2,2-bis(hydroxymethyl)-3-methyl-5-oxopentyl] 2-methylprop-2-enoate
CID 87577994

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 87558283) is [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)(CO)COC(=O)C(=C)C.
What is the InChIKey of [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is IJRZZQJIXOMBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-8(2)10(14)17-6-12(16,5-13)7-18-11(15)9(3)4/h13,16H,1,3,5-7H2,2,4H3.
What are the key properties of [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 258.27 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87558283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).