ethenyl 16-hydroxyhexadecanoate

C18H34O3 — CID 88593683

IUPACethenyl 16-hydroxyhexadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C18H34O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,19H,1,3-17H2
InChIKeyQWIIVEXHZOFNMB-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.13
Rot. Bonds16

About ethenyl 16-hydroxyhexadecanoate

ethenyl 16-hydroxyhexadecanoate (PubChem CID 88593683) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethenyl 16-hydroxyhexadecanoate.

Molecular Properties

Compound Nameethenyl 16-hydroxyhexadecanoate
PubChem CID88593683
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Nameethenyl 16-hydroxyhexadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C18H34O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,19H,1,3-17H2
InChIKeyQWIIVEXHZOFNMB-UHFFFAOYSA-N
XLogP5.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.13
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'}

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Related Compounds

ethenyl 6-hydroxyhexanoate
CID 88593109
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 16-hydroxyhexadecanoate?
The IUPAC name of ethenyl 16-hydroxyhexadecanoate (CID 88593683) is ethenyl 16-hydroxyhexadecanoate.
What is the SMILES notation for ethenyl 16-hydroxyhexadecanoate?
The canonical SMILES for ethenyl 16-hydroxyhexadecanoate is C=COC(=O)CCCCCCCCCCCCCCCO.
What is the InChIKey of ethenyl 16-hydroxyhexadecanoate?
The InChIKey is QWIIVEXHZOFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,19H,1,3-17H2.
What are the key properties of ethenyl 16-hydroxyhexadecanoate?
ethenyl 16-hydroxyhexadecanoate has a molecular weight of 298.47 g/mol, XLogP of 5.13, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 16-hydroxyhexadecanoate is sourced from PubChem (CID 88593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).