(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid

C18H30O4 — CID 59931979

IUPAC(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid
SMILESCC/C=C\CC(O)/C=C/C(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h3,8,14-16,19H,2,4-7,9-13H2,1H3,(H,21,22)/b8-3-,15-14+
InChIKeyMHALAIOXRHAOFI-IQPNXQBCSA-N
MW310.43 g/mol
LogP4.03
Rot. Bonds14

About (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid

(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid (PubChem CID 59931979) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid.

Molecular Properties

Compound Name(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid
PubChem CID59931979
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid
SMILESCC/C=C\CC(O)/C=C/C(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h3,8,14-16,19H,2,4-7,9-13H2,1H3,(H,21,22)/b8-3-,15-14+
InChIKeyMHALAIOXRHAOFI-IQPNXQBCSA-N
XLogP4.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(9S,11E,13S,15Z)-9,13-dihydroxy-10-oxooctadeca-11,15-dienoic acid
CID 122395075
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178
17-hydroxydocos-19-enoic acid
CID 169277016
12-hydroxyheptadec-14-enoic acid
CID 169277009
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
CID 23872026
(9R,10S,11E,13R,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
CID 93062009
(E,9S)-9-hydroxy-12-oxooctadec-10-enoic acid
CID 92966010
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403

Frequently Asked Questions

What is the IUPAC name of (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid?
The IUPAC name of (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid (CID 59931979) is (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid.
What is the SMILES notation for (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid?
The canonical SMILES for (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid is CC/C=C\CC(O)/C=C/C(=O)CCCCCCCCC(=O)O.
What is the InChIKey of (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid?
The InChIKey is MHALAIOXRHAOFI-IQPNXQBCSA-N. The full InChI is InChI=1S/C18H30O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h3,8,14-16,19H,2,4-7,9-13H2,1H3,(H,21,22)/b8-3-,15-14+.
What are the key properties of (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid?
(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid has a molecular weight of 310.43 g/mol, XLogP of 4.03, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid is sourced from PubChem (CID 59931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).