2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol

C14H22O9 — CID 173130882

IUPAC2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol
SMILESC=C(C)C(=O)O.C=CC(=O)OC=C(C)C(=O)O.OCC(O)CO
InChIInChI=1S/C7H8O4.C4H6O2.C3H8O3/c1-3-6(8)11-4-5(2)7(9)10;1-3(2)4(5)6;4-1-3(6)2-5/h3-4H,1H2,2H3,(H,9,10);1H2,2H3,(H,5,6);3-6H,1-2H2
InChIKeyUIAPIDFMJWYIDU-UHFFFAOYSA-N
MW334.32 g/mol
LogP-0.32
Rot. Bonds6

About 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol

2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol (PubChem CID 173130882) has the molecular formula C14H22O9 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol
PubChem CID173130882
Molecular FormulaC14H22O9
Molecular Weight334.32 g/mol
Exact Mass334.13
IUPAC Name2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol
SMILESC=C(C)C(=O)O.C=CC(=O)OC=C(C)C(=O)O.OCC(O)CO
InChIInChI=1S/C7H8O4.C4H6O2.C3H8O3/c1-3-6(8)11-4-5(2)7(9)10;1-3(2)4(5)6;4-1-3(6)2-5/h3-4H,1H2,2H3,(H,9,10);1H2,2H3,(H,5,6);3-6H,1-2H2
InChIKeyUIAPIDFMJWYIDU-UHFFFAOYSA-N
XLogP-0.32
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
butanedioic acid;bis(2-methylprop-2-enoic acid);propane-1,2,3-triol
CID 162197824
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
CID 154089155
3-chloropropane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 71431738
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol?
The IUPAC name of 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol (CID 173130882) is 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol.
What is the SMILES notation for 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol?
The canonical SMILES for 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol is C=C(C)C(=O)O.C=CC(=O)OC=C(C)C(=O)O.OCC(O)CO.
What is the InChIKey of 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol?
The InChIKey is UIAPIDFMJWYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4.C4H6O2.C3H8O3/c1-3-6(8)11-4-5(2)7(9)10;1-3(2)4(5)6;4-1-3(6)2-5/h3-4H,1H2,2H3,(H,9,10);1H2,2H3,(H,5,6);3-6H,1-2H2.
What are the key properties of 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol?
2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol has a molecular weight of 334.32 g/mol, XLogP of -0.32, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol is sourced from PubChem (CID 173130882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).