2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate

C11H16O5 — CID 89274312

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
SMILESC=C(O)CCC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C11H16O5/c1-8(2)11(14)16-7-6-15-10(13)5-4-9(3)12/h12H,1,3-7H2,2H3
InChIKeyLCXHSCVTQPQLOD-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.50
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate

2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate (PubChem CID 89274312) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
PubChem CID89274312
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
SMILESC=C(O)CCC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C11H16O5/c1-8(2)11(14)16-7-6-15-10(13)5-4-9(3)12/h12H,1,3-7H2,2H3
InChIKeyLCXHSCVTQPQLOD-UHFFFAOYSA-N
XLogP1.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-chloro 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 140816543
2-(2-methylprop-2-enoyloxy)ethyl 4-chloro-4-oxobutanoate
CID 58942580
2-[3-[[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]disulfanyl]propanoyloxy]ethyl 2-methylprop-2-enoate
CID 155426077
2-(3-cyanatopropanoyloxy)ethyl 2-methylprop-2-enoate
CID 129129901
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
4-[2-(2-methylprop-2-enoylperoxy)ethoxy]-4-oxobutanoic acid
CID 87506668

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate (CID 89274312) is 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate is C=C(O)CCC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate?
The InChIKey is LCXHSCVTQPQLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(2)11(14)16-7-6-15-10(13)5-4-9(3)12/h12H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate?
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate is sourced from PubChem (CID 89274312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).