(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate

C20H29O3- — CID 51405079

IUPAC(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)[O-]
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,13-12-,16-14+
InChIKeyMEASLHGILYBXFO-XTDASVJISA-M
MW317.45 g/mol
LogP4.06
Rot. Bonds14

About (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate

(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate (PubChem CID 51405079) has the molecular formula C20H29O3- and a molecular weight of 317.45 g/mol. Its IUPAC name is (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate.

Molecular Properties

Compound Name(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
PubChem CID51405079
Molecular FormulaC20H29O3-
Molecular Weight317.45 g/mol
Exact Mass317.21
IUPAC Name(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)[O-]
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,13-12-,16-14+
InChIKeyMEASLHGILYBXFO-XTDASVJISA-M
XLogP4.06
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?
The IUPAC name of (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate (CID 51405079) is (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate.
What is the SMILES notation for (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?
The canonical SMILES for (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)[O-].
What is the InChIKey of (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?
The InChIKey is MEASLHGILYBXFO-XTDASVJISA-M. The full InChI is InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,13-12-,16-14+.
What are the key properties of (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?
(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate has a molecular weight of 317.45 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate is sourced from PubChem (CID 51405079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).