(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid

C20H38O4 — CID 10020286

IUPAC(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
SMILESCCCCCCC[C@H](O)/C=C/[C@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C20H38O4/c1-2-3-4-7-10-13-18(21)16-17-19(22)14-11-8-5-6-9-12-15-20(23)24/h16-19,21-22H,2-15H2,1H3,(H,23,24)/b17-16+/t18-,19+/m0/s1
InChIKeyMRYCEEUMGDLPKJ-YESYDRAFSA-N
MW342.52 g/mol
LogP4.83
Rot. Bonds17

About (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid

(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid (PubChem CID 10020286) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid.

Molecular Properties

Compound Name(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
PubChem CID10020286
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
SMILESCCCCCCC[C@H](O)/C=C/[C@H](O)CCCCCCCCC(=O)O
InChIInChI=1S/C20H38O4/c1-2-3-4-7-10-13-18(21)16-17-19(22)14-11-8-5-6-9-12-15-20(23)24/h16-19,21-22H,2-15H2,1H3,(H,23,24)/b17-16+/t18-,19+/m0/s1
InChIKeyMRYCEEUMGDLPKJ-YESYDRAFSA-N
XLogP4.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
CID 162875566
(Z,5R,8R,11R)-5,8,11-trihydroxyoctadec-9-enoic acid
CID 93472788
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(E,9S)-9-hydroxy-12-oxooctadec-10-enoic acid
CID 92966010
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219

Frequently Asked Questions

What is the IUPAC name of (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid?
The IUPAC name of (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid (CID 10020286) is (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid.
What is the SMILES notation for (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid?
The canonical SMILES for (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid is CCCCCCC[C@H](O)/C=C/[C@H](O)CCCCCCCCC(=O)O.
What is the InChIKey of (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid?
The InChIKey is MRYCEEUMGDLPKJ-YESYDRAFSA-N. The full InChI is InChI=1S/C20H38O4/c1-2-3-4-7-10-13-18(21)16-17-19(22)14-11-8-5-6-9-12-15-20(23)24/h16-19,21-22H,2-15H2,1H3,(H,23,24)/b17-16+/t18-,19+/m0/s1.
What are the key properties of (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid?
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid has a molecular weight of 342.52 g/mol, XLogP of 4.83, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R,13S)-10,13-dihydroxyicos-11-enoic acid is sourced from PubChem (CID 10020286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).