(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid

C20H30O3 — CID 22137777

IUPAC(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESCCC(O)CCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h3-6,8,10,12,14,16,18-19,21H,2,7,9,11,13,15,17H2,1H3,(H,22,23)/b5-3+,6-4+,10-8+,14-12+,18-16+
InChIKeyIVVBLUGHDNNLFF-QLHRXWEPSA-N
MW318.46 g/mol
LogP4.96
Rot. Bonds13

About (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid

(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid (PubChem CID 22137777) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid
PubChem CID22137777
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid
SMILESCCC(O)CCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h3-6,8,10,12,14,16,18-19,21H,2,7,9,11,13,15,17H2,1H3,(H,22,23)/b5-3+,6-4+,10-8+,14-12+,18-16+
InChIKeyIVVBLUGHDNNLFF-QLHRXWEPSA-N
XLogP4.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid?
The IUPAC name of (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid (CID 22137777) is (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid is CCC(O)CCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid?
The InChIKey is IVVBLUGHDNNLFF-QLHRXWEPSA-N. The full InChI is InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h3-6,8,10,12,14,16,18-19,21H,2,7,9,11,13,15,17H2,1H3,(H,22,23)/b5-3+,6-4+,10-8+,14-12+,18-16+.
What are the key properties of (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid?
(2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid has a molecular weight of 318.46 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-18-hydroxyicosa-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 22137777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).