ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate

C216H424O38 — CID 159123238

IUPACethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate
SMILESCCCCCC/C=C/CCCCCCCC(=O)OCC.CCCCCC/C=C\CCCCCCCC(=O)OCC.CCCCCCC(O)C(O)CCCCCCCC(=O)OCC.CCCCCCC(O)CCCCCCCCC(=O)OCC.CCCCCCCC(O)CCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CCCCCCC/C=C/CCCCCCO.CCOC(=O)CCCCCCC/C=C\CCCCCCO.CCOC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCOC(=O)CCCCCCCC(O)CCCCCCCO.CCOC(=O)CCCCCCCCC(O)CCCCCCO.CCOC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C18H36O5.3C18H36O4.3C18H36O3.2C18H34O3.C18H36O2.2C18H34O2/c1-2-23-18(22)14-10-5-3-4-8-12-16(20)17(21)13-9-6-7-11-15-19;1-3-5-6-10-13-16(19)17(20)14-11-8-7-9-12-15-18(21)22-4-2;1-2-22-18(21)15-11-7-3-5-9-13-17(20)14-10-6-4-8-12-16-19;1-2-22-18(21)15-11-6-4-3-5-9-13-17(20)14-10-7-8-12-16-19;1-3-5-6-11-14-17(19)15-12-9-7-8-10-13-16-18(20)21-4-2;1-3-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21-4-2;3*1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;3*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h16-17,19-21H,2-15H2,1H3;16-17,19-20H,3-15H2,1-2H3;2*17,19-20H,2-16H2,1H3;2*17,19H,3-16H2,1-2H3;19H,2-17H2,1H3;2*3,5,19H,2,4,6-17H2,1H3;3-17H2,1-2H3;2*9-10H,3-8,11-17H2,1-2H3/b;;;;;;;5-3+;5-3-;;10-9+;10-9-
InChIKeyKFYPHCRUHSLKTH-COPLHVFISA-N
MW3629.73 g/mol
LogP57.07
Rot. Bonds182

About ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate

ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate (PubChem CID 159123238) has the molecular formula C216H424O38 and a molecular weight of 3629.73 g/mol. Its IUPAC name is ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate.

Molecular Properties

Compound Nameethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate
PubChem CID159123238
Molecular FormulaC216H424O38
Molecular Weight3629.73 g/mol
Exact Mass3627.12
IUPAC Nameethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate
SMILESCCCCCC/C=C/CCCCCCCC(=O)OCC.CCCCCC/C=C\CCCCCCCC(=O)OCC.CCCCCCC(O)C(O)CCCCCCCC(=O)OCC.CCCCCCC(O)CCCCCCCCC(=O)OCC.CCCCCCCC(O)CCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CCCCCCC/C=C/CCCCCCO.CCOC(=O)CCCCCCC/C=C\CCCCCCO.CCOC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCOC(=O)CCCCCCCC(O)CCCCCCCO.CCOC(=O)CCCCCCCCC(O)CCCCCCO.CCOC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C18H36O5.3C18H36O4.3C18H36O3.2C18H34O3.C18H36O2.2C18H34O2/c1-2-23-18(22)14-10-5-3-4-8-12-16(20)17(21)13-9-6-7-11-15-19;1-3-5-6-10-13-16(19)17(20)14-11-8-7-9-12-15-18(21)22-4-2;1-2-22-18(21)15-11-7-3-5-9-13-17(20)14-10-6-4-8-12-16-19;1-2-22-18(21)15-11-6-4-3-5-9-13-17(20)14-10-7-8-12-16-19;1-3-5-6-11-14-17(19)15-12-9-7-8-10-13-16-18(20)21-4-2;1-3-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21-4-2;3*1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;3*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h16-17,19-21H,2-15H2,1H3;16-17,19-20H,3-15H2,1-2H3;2*17,19-20H,2-16H2,1H3;2*17,19H,3-16H2,1-2H3;19H,2-17H2,1H3;2*3,5,19H,2,4,6-17H2,1H3;3-17H2,1-2H3;2*9-10H,3-8,11-17H2,1-2H3/b;;;;;;;5-3+;5-3-;;10-9+;10-9-
InChIKeyKFYPHCRUHSLKTH-COPLHVFISA-N
XLogP57.07
TPSA598.82 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds182
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003629.73
LogP ≤ 557.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate with MolForge

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Related Compounds

ethyl 9,10-dihydroxyoctadecanoate;ethyl 9,18-dihydroxyoctadecanoate;ethyl 10,18-dihydroxyoctadecanoate;ethyl heptadecanoate;ethyl 10-hydroxyoctadecanoate;ethyl 18-hydroxyoctadecanoate;ethyl octadecanoate;ethyl (Z)-octadec-9-enoate;ethyl (E)-octadec-9-enoate;ethyl 8-(3-octyloxiran-2-yl)octanoate;ethyl 9,10,18-trihydroxyoctadecanoate;methane
CID 158772182
2-hydroxybutyl 9,18-dihydroxyoctadecanoate;2-hydroxybutyl 10,18-dihydroxyoctadecanoate;2-hydroxybutyl 18-hydroxyoctadecanoate;2-hydroxybutyl (Z)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (E)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (Z)-octadec-9-enoate;2-hydroxybutyl (E)-octadec-9-enoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 167673787
2-hydroxybutyl 9,10-dihydroxyoctadecanoate;2-hydroxybutyl 9,18-dihydroxyoctadecanoate;2-hydroxybutyl 10,18-dihydroxyoctadecanoate;2-hydroxybutyl 9-hydroxyoctadecanoate;2-hydroxybutyl 10-hydroxyoctadecanoate;2-hydroxybutyl 18-hydroxyoctadecanoate;2-hydroxybutyl octadecanoate;2-hydroxybutyl (E)-octadec-9-enoate;2-hydroxybutyl 9,10,18-trihydroxyoctadecanoate
CID 158613924
methyl 9,16-dihydroxyhexadecanoate;methyl 10,16-dihydroxyhexadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 16-hydroxyhexadecanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 160677125
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
2-hydroxybutyl 9,10-dihydroxyhexadecanoate;2-hydroxybutyl hexadecanoate;2-hydroxybutyl 9-hydroxyhexadecanoate;2-hydroxybutyl 10-hydroxyhexadecanoate;2-hydroxybutyl (Z)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl (E)-18-hydroxyoctadec-9-enoate;2-hydroxybutyl 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate;2-hydroxybutyl (Z)-octadec-9-enoate;2-hydroxybutyl (E)-octadec-9-enoate
CID 158677102
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9-hydroxyhexadecanoate
CID 129223650
bis(undec-2-enyl) 7-hydroxytridecanedioate
CID 123671747
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
methyl heptadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 8-(3-hexyloxiran-2-yl)octanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 8-[3-(6-hydroxyhexyl)oxiran-2-yl]octanoate;methyl 9-hydroxyoctadecanoate;methyl octadecanoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 159203057

Frequently Asked Questions

What is the IUPAC name of ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate?
The IUPAC name of ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate (CID 159123238) is ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate.
What is the SMILES notation for ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate?
The canonical SMILES for ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate is CCCCCC/C=C/CCCCCCCC(=O)OCC.CCCCCC/C=C\CCCCCCCC(=O)OCC.CCCCCCC(O)C(O)CCCCCCCC(=O)OCC.CCCCCCC(O)CCCCCCCCC(=O)OCC.CCCCCCCC(O)CCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CCCCCCC/C=C/CCCCCCO.CCOC(=O)CCCCCCC/C=C\CCCCCCO.CCOC(=O)CCCCCCCC(O)C(O)CCCCCCO.CCOC(=O)CCCCCCCC(O)CCCCCCCO.CCOC(=O)CCCCCCCCC(O)CCCCCCO.CCOC(=O)CCCCCCCCCCCCCCCO.
What is the InChIKey of ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate?
The InChIKey is KFYPHCRUHSLKTH-COPLHVFISA-N. The full InChI is InChI=1S/C18H36O5.3C18H36O4.3C18H36O3.2C18H34O3.C18H36O2.2C18H34O2/c1-2-23-18(22)14-10-5-3-4-8-12-16(20)17(21)13-9-6-7-11-15-19;1-3-5-6-10-13-16(19)17(20)14-11-8-7-9-12-15-18(21)22-4-2;1-2-22-18(21)15-11-7-3-5-9-13-17(20)14-10-6-4-8-12-16-19;1-2-22-18(21)15-11-6-4-3-5-9-13-17(20)14-10-7-8-12-16-19;1-3-5-6-11-14-17(19)15-12-9-7-8-10-13-16-18(20)21-4-2;1-3-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21-4-2;3*1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;3*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h16-17,19-21H,2-15H2,1H3;16-17,19-20H,3-15H2,1-2H3;2*17,19-20H,2-16H2,1H3;2*17,19H,3-16H2,1-2H3;19H,2-17H2,1H3;2*3,5,19H,2,4,6-17H2,1H3;3-17H2,1-2H3;2*9-10H,3-8,11-17H2,1-2H3/b;;;;;;;5-3+;5-3-;;10-9+;10-9-.
What are the key properties of ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate?
ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate has a molecular weight of 3629.73 g/mol, XLogP of 57.07, 182 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,10-dihydroxyhexadecanoate;ethyl 9,16-dihydroxyhexadecanoate;ethyl 10,16-dihydroxyhexadecanoate;ethyl hexadecanoate;ethyl (Z)-hexadec-9-enoate;ethyl (E)-hexadec-9-enoate;ethyl 9-hydroxyhexadecanoate;ethyl 10-hydroxyhexadecanoate;ethyl 16-hydroxyhexadecanoate;ethyl (Z)-16-hydroxyhexadec-9-enoate;ethyl (E)-16-hydroxyhexadec-9-enoate;ethyl 9,10,16-trihydroxyhexadecanoate is sourced from PubChem (CID 159123238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).