ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate

C12H18O3 — CID 139796443

IUPACethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate
SMILESC=COC(=O)CC(CC)C(O)(C=C)C=C
InChIInChI=1S/C12H18O3/c1-5-10(9-11(13)15-8-4)12(14,6-2)7-3/h6-8,10,14H,2-5,9H2,1H3
InChIKeyKZNIPLSRFYZCMH-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.19
Rot. Bonds7

About ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate

ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate (PubChem CID 139796443) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate.

Molecular Properties

Compound Nameethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate
PubChem CID139796443
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate
SMILESC=COC(=O)CC(CC)C(O)(C=C)C=C
InChIInChI=1S/C12H18O3/c1-5-10(9-11(13)15-8-4)12(14,6-2)7-3/h6-8,10,14H,2-5,9H2,1H3
InChIKeyKZNIPLSRFYZCMH-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-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

4-ethenoxy-2-hydroxy-4-oxobutanoic acid
CID 123885339
ethenyl (3R)-3-phenylbutanoate
CID 10487918
ethanol;ethenyl butanoate
CID 87410894
bis(ethenyl) 4-(2-ethenoxy-2-oxoethyl)-3,5-dimethyloctanedioate
CID 89004731
bis(ethenyl) hexanedioate
CID 19997
ethenyl henpentacontanoate
CID 139683011
ethenyl octacosanoate
CID 54439588
ethenyl 3-oxohexanoate
CID 57170487
ethenyl butanoate;prop-2-enal
CID 174800304
ethenyl heptatriacontanoate
CID 139682782
ethenyl tetracontanoate
CID 139682936
ethene;ethenyl 7,7-dimethyloctanoate
CID 160753731

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate?
The IUPAC name of ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate (CID 139796443) is ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate.
What is the SMILES notation for ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate?
The canonical SMILES for ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate is C=COC(=O)CC(CC)C(O)(C=C)C=C.
What is the InChIKey of ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate?
The InChIKey is KZNIPLSRFYZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-10(9-11(13)15-8-4)12(14,6-2)7-3/h6-8,10,14H,2-5,9H2,1H3.
What are the key properties of ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate?
ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate is sourced from PubChem (CID 139796443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).