prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate

C10H14O6 — CID 173289445

IUPACprop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate
SMILESC=CC(=O)OC(=O)C(=CC)OCC(O)CO
InChIInChI=1S/C10H14O6/c1-3-8(15-6-7(12)5-11)10(14)16-9(13)4-2/h3-4,7,11-12H,2,5-6H2,1H3
InChIKeyYUSXWGBYQCKQAL-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.48
Rot. Bonds6

About prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate

prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate (PubChem CID 173289445) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate
PubChem CID173289445
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Nameprop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate
SMILESC=CC(=O)OC(=O)C(=CC)OCC(O)CO
InChIInChI=1S/C10H14O6/c1-3-8(15-6-7(12)5-11)10(14)16-9(13)4-2/h3-4,7,11-12H,2,5-6H2,1H3
InChIKeyYUSXWGBYQCKQAL-UHFFFAOYSA-N
XLogP-0.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.48
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

[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
CID 175902908
2,3-dihydroxypropyl prop-2-enoate;dimethyl-propyl-trimethylsilyloxysilane
CID 87900234
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
prop-2-enoyl 2-(2-hydroxyethyl)but-2-enoate
CID 174585587
copper;2,3-dihydroxypropyl acetate
CID 175414462
2,3-dihydroxypropyl decanoate;prop-1-ene
CID 155355395
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate?
The IUPAC name of prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate (CID 173289445) is prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate.
What is the SMILES notation for prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate?
The canonical SMILES for prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate is C=CC(=O)OC(=O)C(=CC)OCC(O)CO.
What is the InChIKey of prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate?
The InChIKey is YUSXWGBYQCKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-8(15-6-7(12)5-11)10(14)16-9(13)4-2/h3-4,7,11-12H,2,5-6H2,1H3.
What are the key properties of prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate?
prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate has a molecular weight of 230.22 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2-(2,3-dihydroxypropoxy)but-2-enoate is sourced from PubChem (CID 173289445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).