2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid

C11H16O5 — CID 91536351

IUPAC2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid
SMILESC=CC(=O)OCCC=C(CC(C)O)C(=O)O
InChIInChI=1S/C11H16O5/c1-3-10(13)16-6-4-5-9(11(14)15)7-8(2)12/h3,5,8,12H,1,4,6-7H2,2H3,(H,14,15)
InChIKeyLEOPJQLVUXSXBT-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.89
Rot. Bonds7

About 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid

2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid (PubChem CID 91536351) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid
PubChem CID91536351
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid
SMILESC=CC(=O)OCCC=C(CC(C)O)C(=O)O
InChIInChI=1S/C11H16O5/c1-3-10(13)16-6-4-5-9(11(14)15)7-8(2)12/h3,5,8,12H,1,4,6-7H2,2H3,(H,14,15)
InChIKeyLEOPJQLVUXSXBT-UHFFFAOYSA-N
XLogP0.89
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
CID 91538853
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
CID 173162722
carbonic acid;3,7-dimethyloct-6-enyl prop-2-enoate
CID 174517653
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid?
The IUPAC name of 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid (CID 91536351) is 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid?
The canonical SMILES for 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid is C=CC(=O)OCCC=C(CC(C)O)C(=O)O.
What is the InChIKey of 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid?
The InChIKey is LEOPJQLVUXSXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-10(13)16-6-4-5-9(11(14)15)7-8(2)12/h3,5,8,12H,1,4,6-7H2,2H3,(H,14,15).
What are the key properties of 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid?
2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid has a molecular weight of 228.24 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-prop-2-enoyloxypent-2-enoic acid is sourced from PubChem (CID 91536351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).