methanol;2-(2-methylprop-2-enoyloxy)propanoic acid

C8H14O5 — CID 174868597

IUPACmethanol;2-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC(C)C(=O)O.CO
InChIInChI=1S/C7H10O4.CH4O/c1-4(2)7(10)11-5(3)6(8)9;1-2/h5H,1H2,2-3H3,(H,8,9);2H,1H3
InChIKeyONJSLKIXRVBXQI-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.19
Rot. Bonds3

About methanol;2-(2-methylprop-2-enoyloxy)propanoic acid

methanol;2-(2-methylprop-2-enoyloxy)propanoic acid (PubChem CID 174868597) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methanol;2-(2-methylprop-2-enoyloxy)propanoic acid.

Molecular Properties

Compound Namemethanol;2-(2-methylprop-2-enoyloxy)propanoic acid
PubChem CID174868597
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethanol;2-(2-methylprop-2-enoyloxy)propanoic acid
SMILESC=C(C)C(=O)OC(C)C(=O)O.CO
InChIInChI=1S/C7H10O4.CH4O/c1-4(2)7(10)11-5(3)6(8)9;1-2/h5H,1H2,2-3H3,(H,8,9);2H,1H3
InChIKeyONJSLKIXRVBXQI-UHFFFAOYSA-N
XLogP0.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)pentane-1,5-diol;tris(2-(2-methylprop-2-enoyloxy)propanoic acid)
CID 159990550
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-fluoroethanol;[1-(2-fluoroethoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate;fluoromethane;2-(2-methylprop-2-enoyloxy)propanoic acid;tetrafluoromethane
CID 162099345
(2S)-2-acetyloxypropanoic acid
CID 6326324
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166

Frequently Asked Questions

What is the IUPAC name of methanol;2-(2-methylprop-2-enoyloxy)propanoic acid?
The IUPAC name of methanol;2-(2-methylprop-2-enoyloxy)propanoic acid (CID 174868597) is methanol;2-(2-methylprop-2-enoyloxy)propanoic acid.
What is the SMILES notation for methanol;2-(2-methylprop-2-enoyloxy)propanoic acid?
The canonical SMILES for methanol;2-(2-methylprop-2-enoyloxy)propanoic acid is C=C(C)C(=O)OC(C)C(=O)O.CO.
What is the InChIKey of methanol;2-(2-methylprop-2-enoyloxy)propanoic acid?
The InChIKey is ONJSLKIXRVBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.CH4O/c1-4(2)7(10)11-5(3)6(8)9;1-2/h5H,1H2,2-3H3,(H,8,9);2H,1H3.
What are the key properties of methanol;2-(2-methylprop-2-enoyloxy)propanoic acid?
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid has a molecular weight of 190.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(2-methylprop-2-enoyloxy)propanoic acid is sourced from PubChem (CID 174868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).