(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid

C20H38O4 — CID 131704448

IUPAC(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid
SMILESCC[C@@H](O)[C@H](O)CCCCCCCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C20H38O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h9,11,18-19,21-22H,2-8,10,12-17H2,1H3,(H,23,24)/b11-9-/t18-,19-/m1/s1
InChIKeyCADHECXJXQPBEJ-HYDLDTBVSA-N
MW342.52 g/mol
LogP4.83
Rot. Bonds17

About (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid

(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid (PubChem CID 131704448) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid.

Molecular Properties

Compound Name(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid
PubChem CID131704448
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid
SMILESCC[C@@H](O)[C@H](O)CCCCCCCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C20H38O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h9,11,18-19,21-22H,2-8,10,12-17H2,1H3,(H,23,24)/b11-9-/t18-,19-/m1/s1
InChIKeyCADHECXJXQPBEJ-HYDLDTBVSA-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

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(Z)-15-hydroxyoctadec-6-enoic acid
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CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
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(E)-13-hydroxyhexadec-6-enoic acid
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17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327
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CID 52921771

Frequently Asked Questions

What is the IUPAC name of (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid?
The IUPAC name of (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid (CID 131704448) is (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid.
What is the SMILES notation for (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid?
The canonical SMILES for (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid is CC[C@@H](O)[C@H](O)CCCCCCCCCC/C=C\CCCC(=O)O.
What is the InChIKey of (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid?
The InChIKey is CADHECXJXQPBEJ-HYDLDTBVSA-N. The full InChI is InChI=1S/C20H38O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h9,11,18-19,21-22H,2-8,10,12-17H2,1H3,(H,23,24)/b11-9-/t18-,19-/m1/s1.
What are the key properties of (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid?
(Z,17R,18R)-17,18-dihydroxyicos-5-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 (Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid is sourced from PubChem (CID 131704448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).