ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate

C11H20O3 — CID 58725319

IUPACethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate
SMILESCCOC(=O)C(C=C(C)C)C(O)CC
InChIInChI=1S/C11H20O3/c1-5-10(12)9(7-8(3)4)11(13)14-6-2/h7,9-10,12H,5-6H2,1-4H3
InChIKeyOGBNZEUVBOUTDP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate

ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate (PubChem CID 58725319) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate
PubChem CID58725319
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate
SMILESCCOC(=O)C(C=C(C)C)C(O)CC
InChIInChI=1S/C11H20O3/c1-5-10(12)9(7-8(3)4)11(13)14-6-2/h7,9-10,12H,5-6H2,1-4H3
InChIKeyOGBNZEUVBOUTDP-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-fluoro-4-methylpent-3-enoate
CID 101176666
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
ethyl 2-hydroxybutanoate
CID 521365
bis(butan-2-ol);ethyl acetate
CID 139558654
diethyl 2-(2-ethyl-1-hydroxybutyl)propanedioate
CID 55071264
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethyl 4-hydroxy-3-propylhexanoate
CID 87356845
diethyl 2-butanoylpropanedioate
CID 13467795
triethyl butane-1,1,2-tricarboxylate
CID 21331229
ethyl (2R,3S)-3-ethyl-2-hydroxy-4-oxopentanoate
CID 171755854
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;octacontahydrate
CID 173010859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate?
The IUPAC name of ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate (CID 58725319) is ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate.
What is the SMILES notation for ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate?
The canonical SMILES for ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate is CCOC(=O)C(C=C(C)C)C(O)CC.
What is the InChIKey of ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate?
The InChIKey is OGBNZEUVBOUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-10(12)9(7-8(3)4)11(13)14-6-2/h7,9-10,12H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate?
ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate has a molecular weight of 200.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate is sourced from PubChem (CID 58725319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).