methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate

C11H16O5 — CID 174987309

IUPACmethyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(O)CC(=C)C(=O)OC
InChIInChI=1S/C11H16O5/c1-7(2)10(13)16-6-9(12)5-8(3)11(14)15-4/h9,12H,1,3,5-6H2,2,4H3
InChIKeyXRQOKTNSGCGADU-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.59
Rot. Bonds6

About methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate

methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 174987309) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID174987309
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(O)CC(=C)C(=O)OC
InChIInChI=1S/C11H16O5/c1-7(2)10(13)16-6-9(12)5-8(3)11(14)15-4/h9,12H,1,3,5-6H2,2,4H3
InChIKeyXRQOKTNSGCGADU-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(Z)-2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-3-methylbut-2-enedioic acid
CID 88804644
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
CID 139935856
(5-tert-butyl-2-hydroxy-7,7-dimethyl-4-oxooctyl) 2-methylprop-2-enoate
CID 89150629
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate (CID 174987309) is methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCC(O)CC(=C)C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is XRQOKTNSGCGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-7(2)10(13)16-6-9(12)5-8(3)11(14)15-4/h9,12H,1,3,5-6H2,2,4H3.
What are the key properties of methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate?
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 228.24 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 174987309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).