(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol

C20H34O2 — CID 59098331

IUPAC(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
SMILESCCCC[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCCO
InChIInChI=1S/C20H34O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h4-5,8-11,15,18,20-22H,2-3,6-7,12-14,16-17,19H2,1H3/b5-4-,10-8-,11-9-,18-15-/t20-/m1/s1
InChIKeyBBEGPZYAQJUIBP-POJQKJBPSA-N
MW306.49 g/mol
LogP5.10
Rot. Bonds14

About (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol

(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol (PubChem CID 59098331) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
PubChem CID59098331
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
SMILESCCCC[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCCO
InChIInChI=1S/C20H34O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h4-5,8-11,15,18,20-22H,2-3,6-7,12-14,16-17,19H2,1H3/b5-4-,10-8-,11-9-,18-15-/t20-/m1/s1
InChIKeyBBEGPZYAQJUIBP-POJQKJBPSA-N
XLogP5.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,16R)-icosa-5,8,11,14-tetraene-1,16-diol with MolForge

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Related Compounds

(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
octacos-10-ene-1,12-diol
CID 86172609
(E)-octadec-6-ene-1,8-diol
CID 10265918
(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 22398295
(11Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175962679
(14Z)-icosa-5,8,11,14-tetraen-1-ol
CID 175206596
icosa-5,8,11,14-tetraen-1-ol
CID 4282256
pentadeca-6,9-dien-1-ol
CID 548865
(7Z,10Z)-hexadeca-7,10-dien-1-ol
CID 129115258
henicos-7-en-6-ol
CID 91409967
(5Z,8Z,11Z,14Z,16R)-N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]-16-hydroxyicosa-5,8,11,14-tetraenamide
CID 156997493
(5Z,8Z,11Z,14Z,16R)-N-[(E,2S,3R)-1,3-dihydroxyicos-4-en-2-yl]-16-hydroxyicosa-5,8,11,14-tetraenamide
CID 156997701

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol?
The IUPAC name of (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol (CID 59098331) is (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol.
What is the SMILES notation for (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol?
The canonical SMILES for (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol is CCCC[C@@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCCO.
What is the InChIKey of (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol?
The InChIKey is BBEGPZYAQJUIBP-POJQKJBPSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h4-5,8-11,15,18,20-22H,2-3,6-7,12-14,16-17,19H2,1H3/b5-4-,10-8-,11-9-,18-15-/t20-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol?
(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol has a molecular weight of 306.49 g/mol, XLogP of 5.10, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol is sourced from PubChem (CID 59098331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).