methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate

C11H16O5 — CID 174534571

IUPACmethyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OC(C)C(O)CC(=C)C(=O)OC
InChIInChI=1S/C11H16O5/c1-5-10(13)16-8(3)9(12)6-7(2)11(14)15-4/h5,8-9,12H,1-2,6H2,3-4H3
InChIKeyKSDUUAUGDWXZHX-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.58
Rot. Bonds6

About methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate

methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate (PubChem CID 174534571) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
PubChem CID174534571
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OC(C)C(O)CC(=C)C(=O)OC
InChIInChI=1S/C11H16O5/c1-5-10(13)16-8(3)9(12)6-7(2)11(14)15-4/h5,8-9,12H,1-2,6H2,3-4H3
InChIKeyKSDUUAUGDWXZHX-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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

pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174792723
[5-(dimethylamino)-3-hydroxypentan-2-yl] prop-2-enoate
CID 174539008
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
CID 174742630
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
methyl 5-hydroxy-2-methylidenehexanoate
CID 57168869
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The IUPAC name of methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate (CID 174534571) is methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate.
What is the SMILES notation for methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The canonical SMILES for methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate is C=CC(=O)OC(C)C(O)CC(=C)C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The InChIKey is KSDUUAUGDWXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-5-10(13)16-8(3)9(12)6-7(2)11(14)15-4/h5,8-9,12H,1-2,6H2,3-4H3.
What are the key properties of methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate has a molecular weight of 228.24 g/mol, XLogP of 0.58, 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-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 174534571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).