(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid

C22H32O5 — CID 131840654

IUPAC(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
SMILESCC[C@@H]1[C@H](/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O)C(=O)C[C@@H]1O
InChIInChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18-,19+,20+/m1/s1
InChIKeyAYIWIGDPZXRNNR-XRLPFVIISA-N
MW376.49 g/mol
LogP3.58
Rot. Bonds12

About (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid

(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid (PubChem CID 131840654) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
PubChem CID131840654
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Name(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
SMILESCC[C@@H]1[C@H](/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O)C(=O)C[C@@H]1O
InChIInChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18-,19+,20+/m1/s1
InChIKeyAYIWIGDPZXRNNR-XRLPFVIISA-N
XLogP3.58
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid with MolForge

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Related Compounds

(4Z,7Z)-9-[(1S,2R,5S)-5-hydroxy-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-3-oxocyclopentyl]nona-4,7-dienoic acid
CID 131840566
(4Z,7Z)-9-[(1S,2S,5R)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-3-oxocyclopentyl]nona-4,7-dienoic acid
CID 131840561
(Z)-6-[(1R,2S,5S)-5-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-3-oxocyclopentyl]hex-4-enoic acid
CID 131840547
(Z)-6-[(1S,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-3-oxocyclopentyl]hex-4-enoic acid
CID 131840554
3-[(1R,2S,5S)-5-hydroxy-2-[(1E,3S,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840519
3-[(1R,2R,5R)-5-hydroxy-2-[(1E,3R,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840508
3-[(1S,2R,5S)-5-hydroxy-2-[(1E,3R,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840518
3-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840520
(4Z,7Z,10Z)-12-[(1S,2S,5R)-5-hydroxy-2-[(E,3R)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840573
(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5S)-2-ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
CID 131840535
(5Z,8R,9E)-8-hydroxy-10-[(1S,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840003
(4Z,7R,8E)-7-hydroxy-9-[(1R,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-3-oxocyclopentyl]nona-4,8-dienoic acid
CID 131840480

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid?
The IUPAC name of (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid (CID 131840654) is (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid.
What is the SMILES notation for (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid?
The canonical SMILES for (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid is CC[C@@H]1[C@H](/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O)C(=O)C[C@@H]1O.
What is the InChIKey of (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid?
The InChIKey is AYIWIGDPZXRNNR-XRLPFVIISA-N. The full InChI is InChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18-,19+,20+/m1/s1.
What are the key properties of (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid?
(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid has a molecular weight of 376.49 g/mol, XLogP of 3.58, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid is sourced from PubChem (CID 131840654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).