ethyl 16-hydroxynonadec-14-enoate

C21H40O3 — CID 86215773

IUPACethyl 16-hydroxynonadec-14-enoate
SMILESCCCC(O)C=CCCCCCCCCCCCCC(=O)OCC
InChIInChI=1S/C21H40O3/c1-3-17-20(22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-21(23)24-4-2/h15,18,20,22H,3-14,16-17,19H2,1-2H3
InChIKeyJOTOXXIKQXPRIZ-UHFFFAOYSA-N
MW340.55 g/mol
LogP5.95
Rot. Bonds17

About ethyl 16-hydroxynonadec-14-enoate

ethyl 16-hydroxynonadec-14-enoate (PubChem CID 86215773) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is ethyl 16-hydroxynonadec-14-enoate.

Molecular Properties

Compound Nameethyl 16-hydroxynonadec-14-enoate
PubChem CID86215773
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Nameethyl 16-hydroxynonadec-14-enoate
SMILESCCCC(O)C=CCCCCCCCCCCCCC(=O)OCC
InChIInChI=1S/C21H40O3/c1-3-17-20(22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-21(23)24-4-2/h15,18,20,22H,3-14,16-17,19H2,1-2H3
InChIKeyJOTOXXIKQXPRIZ-UHFFFAOYSA-N
XLogP5.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
2-hydroxyethyl (E)-9-hydroxyoctadec-10-enoate
CID 89085788
CID 175771564
CID 175771564
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
ethyl octadeca-9,11-dienoate
CID 71333061
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
undec-5-en-4-ol
CID 73071371
ethyl (E)-3-propyltridec-4-enoate
CID 134916411
ethyl 12-octadec-9-enoyloxyoctadecanoate
CID 91498205

Frequently Asked Questions

What is the IUPAC name of ethyl 16-hydroxynonadec-14-enoate?
The IUPAC name of ethyl 16-hydroxynonadec-14-enoate (CID 86215773) is ethyl 16-hydroxynonadec-14-enoate.
What is the SMILES notation for ethyl 16-hydroxynonadec-14-enoate?
The canonical SMILES for ethyl 16-hydroxynonadec-14-enoate is CCCC(O)C=CCCCCCCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 16-hydroxynonadec-14-enoate?
The InChIKey is JOTOXXIKQXPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3/c1-3-17-20(22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-21(23)24-4-2/h15,18,20,22H,3-14,16-17,19H2,1-2H3.
What are the key properties of ethyl 16-hydroxynonadec-14-enoate?
ethyl 16-hydroxynonadec-14-enoate has a molecular weight of 340.55 g/mol, XLogP of 5.95, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 16-hydroxynonadec-14-enoate is sourced from PubChem (CID 86215773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).