ethenyl 4-hydroxy-2-methylidenepentanoate

C8H12O3 — CID 57123538

IUPACethenyl 4-hydroxy-2-methylidenepentanoate
SMILESC=COC(=O)C(=C)CC(C)O
InChIInChI=1S/C8H12O3/c1-4-11-8(10)6(2)5-7(3)9/h4,7,9H,1-2,5H2,3H3
InChIKeyDCWDNZPMDAQGCE-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.00
Rot. Bonds4

About ethenyl 4-hydroxy-2-methylidenepentanoate

ethenyl 4-hydroxy-2-methylidenepentanoate (PubChem CID 57123538) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethenyl 4-hydroxy-2-methylidenepentanoate.

Molecular Properties

Compound Nameethenyl 4-hydroxy-2-methylidenepentanoate
PubChem CID57123538
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethenyl 4-hydroxy-2-methylidenepentanoate
SMILESC=COC(=O)C(=C)CC(C)O
InChIInChI=1S/C8H12O3/c1-4-11-8(10)6(2)5-7(3)9/h4,7,9H,1-2,5H2,3H3
InChIKeyDCWDNZPMDAQGCE-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethenyl 4-hydroxy-2-methylidenepentanoate 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

3-(4-hydroxy-2-methylidenepentanoyl)oxypropyl 4-hydroxy-2-methylidenepentanoate
CID 174299027
propyl 4-hydroxy-2-methylidenepentanoate
CID 88746999
2-O-butan-2-yl 1-O-ethenyl oxalate
CID 152731747
prop-2-enyl 3-hydroxybutanoate
CID 14360290
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
methyl 4-hydroxy-2-methylidenepentanoate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174788153
1-hydroxyethyl 4-methyl-2-methylidenepentanoate
CID 175422491
4-methylidenehex-5-en-2-ol
CID 13427514
ethenyl acetate;4-hydroxypentanoic acid
CID 174750348
methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174534571
4-aminopent-4-en-2-ol
CID 88961101
ethenyl 2-aminopropanoate
CID 23374910

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-hydroxy-2-methylidenepentanoate?
The IUPAC name of ethenyl 4-hydroxy-2-methylidenepentanoate (CID 57123538) is ethenyl 4-hydroxy-2-methylidenepentanoate.
What is the SMILES notation for ethenyl 4-hydroxy-2-methylidenepentanoate?
The canonical SMILES for ethenyl 4-hydroxy-2-methylidenepentanoate is C=COC(=O)C(=C)CC(C)O.
What is the InChIKey of ethenyl 4-hydroxy-2-methylidenepentanoate?
The InChIKey is DCWDNZPMDAQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-11-8(10)6(2)5-7(3)9/h4,7,9H,1-2,5H2,3H3.
What are the key properties of ethenyl 4-hydroxy-2-methylidenepentanoate?
ethenyl 4-hydroxy-2-methylidenepentanoate has a molecular weight of 156.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-hydroxy-2-methylidenepentanoate is sourced from PubChem (CID 57123538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).