2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate

C10H14O6 — CID 174910675

IUPAC2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=C(O)OCCO
InChIInChI=1S/C10H14O6/c1-6(2)8(12)16-10(14)7(3)9(13)15-5-4-11/h11,13H,1,4-5H2,2-3H3
InChIKeyKTFSIYDBTWSTBC-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.43
Rot. Bonds5

About 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate

2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate (PubChem CID 174910675) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate
PubChem CID174910675
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=C(O)OCCO
InChIInChI=1S/C10H14O6/c1-6(2)8(12)16-10(14)7(3)9(13)15-5-4-11/h11,13H,1,4-5H2,2-3H3
InChIKeyKTFSIYDBTWSTBC-UHFFFAOYSA-N
XLogP0.43
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
1-O-(2-hydroxyethyl) 4-O-(2-methylprop-2-enoyl) (Z)-but-2-enedioate
CID 155095280
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate (CID 174910675) is 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(C)=C(O)OCCO.
What is the InChIKey of 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate?
The InChIKey is KTFSIYDBTWSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-6(2)8(12)16-10(14)7(3)9(13)15-5-4-11/h11,13H,1,4-5H2,2-3H3.
What are the key properties of 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate?
2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate has a molecular weight of 230.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 3-hydroxy-3-(2-hydroxyethoxy)-2-methylprop-2-enoate is sourced from PubChem (CID 174910675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).