ethenyl 6-hydroxyhexanoate

C8H14O3 — CID 88593109

IUPACethenyl 6-hydroxyhexanoate
SMILESC=COC(=O)CCCCCO
InChIInChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7-9/h2,9H,1,3-7H2
InChIKeyJMGRVDHFLAUVMY-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.23
Rot. Bonds6

About ethenyl 6-hydroxyhexanoate

ethenyl 6-hydroxyhexanoate (PubChem CID 88593109) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethenyl 6-hydroxyhexanoate.

Molecular Properties

Compound Nameethenyl 6-hydroxyhexanoate
PubChem CID88593109
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethenyl 6-hydroxyhexanoate
SMILESC=COC(=O)CCCCCO
InChIInChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7-9/h2,9H,1,3-7H2
InChIKeyJMGRVDHFLAUVMY-UHFFFAOYSA-N
XLogP1.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethenyl 6-hydroxyhexanoate 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

ethenyl 16-hydroxyhexadecanoate
CID 88593683
bis(ethenyl) hexanedioate
CID 19997
butane-1,4-diol;ethenyl butanoate
CID 159135877
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl henpentacontanoate
CID 139683011
ethenyl heptatriacontanoate
CID 139682782
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl tetracontanoate
CID 139682936
ethenyl octacosanoate
CID 54439588

Frequently Asked Questions

What is the IUPAC name of ethenyl 6-hydroxyhexanoate?
The IUPAC name of ethenyl 6-hydroxyhexanoate (CID 88593109) is ethenyl 6-hydroxyhexanoate.
What is the SMILES notation for ethenyl 6-hydroxyhexanoate?
The canonical SMILES for ethenyl 6-hydroxyhexanoate is C=COC(=O)CCCCCO.
What is the InChIKey of ethenyl 6-hydroxyhexanoate?
The InChIKey is JMGRVDHFLAUVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7-9/h2,9H,1,3-7H2.
What are the key properties of ethenyl 6-hydroxyhexanoate?
ethenyl 6-hydroxyhexanoate has a molecular weight of 158.20 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 6-hydroxyhexanoate is sourced from PubChem (CID 88593109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).