2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate

C24H40O4 — CID 11338352

IUPAC2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)OCC(O)CO
InChIInChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(27)28-21-23(26)20-25/h7-8,10-11,13-14,16-17,22-23,25-26H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyRNRHZGNDJIHLCX-ZKWNWVNESA-N
MW392.58 g/mol
LogP5.27
Rot. Bonds17

About 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate

2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate (PubChem CID 11338352) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate
PubChem CID11338352
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)OCC(O)CO
InChIInChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(27)28-21-23(26)20-25/h7-8,10-11,13-14,16-17,22-23,25-26H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyRNRHZGNDJIHLCX-ZKWNWVNESA-N
XLogP5.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate?
The IUPAC name of 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate (CID 11338352) is 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate?
The canonical SMILES for 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate?
The InChIKey is RNRHZGNDJIHLCX-ZKWNWVNESA-N. The full InChI is InChI=1S/C24H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(27)28-21-23(26)20-25/h7-8,10-11,13-14,16-17,22-23,25-26H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate?
2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate has a molecular weight of 392.58 g/mol, XLogP of 5.27, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 11338352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).