(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid

C20H30O4 — CID 172653541

IUPAC(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-24-20(23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,21,22)/b5-3-,6-4-,11-9-,12-10-
InChIKeySQPJOAFVDCURPJ-TWVHMNNTSA-N
MW334.46 g/mol
LogP4.98
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid (PubChem CID 172653541) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
PubChem CID172653541
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-24-20(23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,21,22)/b5-3-,6-4-,11-9-,12-10-
InChIKeySQPJOAFVDCURPJ-TWVHMNNTSA-N
XLogP4.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.98
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'}

Analyze (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
methyl (5Z,8E)-9-iodonona-5,8-dienoate
CID 14464864
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl octadecanoate;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 88695330
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696
methyl dodeca-6,9-dienoate
CID 123311078
methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
CID 66558829
tetradeca-5,8-dienedioic acid
CID 54091580
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid (CID 172653541) is (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid is COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid?
The InChIKey is SQPJOAFVDCURPJ-TWVHMNNTSA-N. The full InChI is InChI=1S/C20H30O4/c1-24-20(23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,21,22)/b5-3-,6-4-,11-9-,12-10-.
What are the key properties of (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 172653541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).