2-hydroxyethyl 2-methylpent-4-enoate

C8H14O3 — CID 21313276

IUPAC2-hydroxyethyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCCO
InChIInChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h3,7,9H,1,4-6H2,2H3
InChIKeyRGQPQJPXFNRRQF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds5

About 2-hydroxyethyl 2-methylpent-4-enoate

2-hydroxyethyl 2-methylpent-4-enoate (PubChem CID 21313276) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylpent-4-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylpent-4-enoate
PubChem CID21313276
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-hydroxyethyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCCO
InChIInChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h3,7,9H,1,4-6H2,2H3
InChIKeyRGQPQJPXFNRRQF-UHFFFAOYSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl 2-methylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-methyl-4-pentenoate
CID 62024
2-Hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
CID 175122945
Ethyl 3-(hydroxymethyl)pent-4-enoate
CID 134853061
propan-2-yl (2S,3R)-2-hydroxy-3-methylpent-4-enoate
CID 134916290
propan-2-yl (2R,3S)-2-hydroxy-3-methylpent-4-enoate
CID 134916416
propan-2-yl (2R,3R)-2-hydroxy-3-methylpent-4-enoate
CID 134916438
propan-2-yl (2S,3S)-2-hydroxy-3-methylpent-4-enoate
CID 134989148
7-O-(2-hydroxyethyl) 1-O-methyl (E)-2,5-dimethylhept-3-enedioate
CID 14690090
ethyl (2S)-2-methylpent-4-enoate
CID 6997336
ethyl (2R)-2-methylpent-4-enoate
CID 6997337
Ethyl 3-methylpent-4-enoate
CID 12476290
2-Hydroxyethyl 2-formylpent-4-enoate
CID 57299471

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylpent-4-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylpent-4-enoate (CID 21313276) is 2-hydroxyethyl 2-methylpent-4-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylpent-4-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylpent-4-enoate is C=CCC(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylpent-4-enoate?
The InChIKey is RGQPQJPXFNRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylpent-4-enoate?
2-hydroxyethyl 2-methylpent-4-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylpent-4-enoate is sourced from PubChem (CID 21313276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).