ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate

C11H16O5 — CID 174469233

IUPACethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate
SMILESC=CC(=O)OC(=CCC(C)O)C(=O)OCC
InChIInChI=1S/C11H16O5/c1-4-10(13)16-9(7-6-8(3)12)11(14)15-5-2/h4,7-8,12H,1,5-6H2,2-3H3
InChIKeyMLLIUEJZWONMQN-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.93
Rot. Bonds6

About ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate

ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate (PubChem CID 174469233) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate
PubChem CID174469233
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nameethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate
SMILESC=CC(=O)OC(=CCC(C)O)C(=O)OCC
InChIInChI=1S/C11H16O5/c1-4-10(13)16-9(7-6-8(3)12)11(14)15-5-2/h4,7-8,12H,1,5-6H2,2-3H3
InChIKeyMLLIUEJZWONMQN-UHFFFAOYSA-N
XLogP0.93
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate
CID 142739208
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethenamine;ethyl prop-2-enoate
CID 22022699
1-(2-hydroxypropoxy)prop-1-enyl prop-2-enoate
CID 175902908
2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate
CID 139836551
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethene;ethyl prop-2-enoate;urea
CID 22098038

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate?
The IUPAC name of ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate (CID 174469233) is ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate.
What is the SMILES notation for ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate?
The canonical SMILES for ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate is C=CC(=O)OC(=CCC(C)O)C(=O)OCC.
What is the InChIKey of ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate?
The InChIKey is MLLIUEJZWONMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-4-10(13)16-9(7-6-8(3)12)11(14)15-5-2/h4,7-8,12H,1,5-6H2,2-3H3.
What are the key properties of ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate?
ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate is sourced from PubChem (CID 174469233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).