2,2,2-trihydroxyethyl 2-methylprop-2-enoate

C6H10O5 — CID 87642108

IUPAC2,2,2-trihydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(O)O
InChIInChI=1S/C6H10O5/c1-4(2)5(7)11-3-6(8,9)10/h8-10H,1,3H2,2H3
InChIKeyUGGOLIPBKZODTC-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.26
Rot. Bonds3

About 2,2,2-trihydroxyethyl 2-methylprop-2-enoate

2,2,2-trihydroxyethyl 2-methylprop-2-enoate (PubChem CID 87642108) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2,2-trihydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2,2-trihydroxyethyl 2-methylprop-2-enoate
PubChem CID87642108
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2,2,2-trihydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(O)O
InChIInChI=1S/C6H10O5/c1-4(2)5(7)11-3-6(8,9)10/h8-10H,1,3H2,2H3
InChIKeyUGGOLIPBKZODTC-UHFFFAOYSA-N
XLogP-1.26
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
(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(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
[2-hydroxy-2-methyl-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethylbutanoate
CID 59078170
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trihydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2,2,2-trihydroxyethyl 2-methylprop-2-enoate (CID 87642108) is 2,2,2-trihydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2,2-trihydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2,2-trihydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)(O)O.
What is the InChIKey of 2,2,2-trihydroxyethyl 2-methylprop-2-enoate?
The InChIKey is UGGOLIPBKZODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-4(2)5(7)11-3-6(8,9)10/h8-10H,1,3H2,2H3.
What are the key properties of 2,2,2-trihydroxyethyl 2-methylprop-2-enoate?
2,2,2-trihydroxyethyl 2-methylprop-2-enoate has a molecular weight of 162.14 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trihydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87642108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).