(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid

C20H32O4 — CID 5283209

IUPAC(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
SMILESCCCCC/C=C\C[C@@H]1O[C@@H]1C(O)/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
InChIKeyDWNBPRRXEVJMPO-YZTVQBIISA-N
MW336.47 g/mol
LogP4.40
Rot. Bonds14

About (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid

(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid (PubChem CID 5283209) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid.

Molecular Properties

Compound Name(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
PubChem CID5283209
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
SMILESCCCCC/C=C\C[C@@H]1O[C@@H]1C(O)/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
InChIKeyDWNBPRRXEVJMPO-YZTVQBIISA-N
XLogP4.40
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-Arachidonylglycerol
CID 5282280
(2S)-2,3-Dihydroxypropyl (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
CID 16019980
8,9-Epoxyeicosatrienoic acid
CID 5283203
1-Monoarachidin
CID 5282281
11,12-Eet
CID 5283204
3-Arachidonoyl-sn-glycerol
CID 40490622
Hepoxilin A3
CID 5283211
Hepoxilin B3
CID 16759353
8,9-Dihydroxyeicosatrienoic acid
CID 5283144
11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic acid
CID 5283146
17,18-DiHETE
CID 16061120
2-Hydroxy-1-(hydroxymethyl)ethyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate
CID 11646044

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?
The IUPAC name of (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid (CID 5283209) is (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid.
What is the SMILES notation for (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?
The canonical SMILES for (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid is CCCCC/C=C\C[C@@H]1O[C@@H]1C(O)/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?
The InChIKey is DWNBPRRXEVJMPO-YZTVQBIISA-N. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1.
What are the key properties of (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?
(5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid has a molecular weight of 336.47 g/mol, XLogP of 4.40, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid is sourced from PubChem (CID 5283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).