(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid

C22H34O5 — CID 131840356

IUPAC(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid
SMILESCC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20-,21+/m1/s1
InChIKeyHLOKCEDYFAXGRQ-AJKNYCCNSA-N
MW378.51 g/mol
LogP3.38
Rot. Bonds12

About (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid

(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid (PubChem CID 131840356) has the molecular formula C22H34O5 and a molecular weight of 378.51 g/mol. Its IUPAC name is (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid.

Molecular Properties

Compound Name(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid
PubChem CID131840356
Molecular FormulaC22H34O5
Molecular Weight378.51 g/mol
Exact Mass378.24
IUPAC Name(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid
SMILESCC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20-,21+/m1/s1
InChIKeyHLOKCEDYFAXGRQ-AJKNYCCNSA-N
XLogP3.38
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid with MolForge

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Related Compounds

(4Z,7S,8E)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid
CID 131840361
(E)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3R,5E)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 124586049
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid
CID 57042448
(4Z,7Z,10Z,13R,14E)-15-[(1S,2S,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
CID 131840404
(4Z,7Z,10Z)-12-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840456
(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2E,5E)-octa-2,5-dienyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 100949768
5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]cyclopentyl]pentanoic acid
CID 171116154
(E,6R)-8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]-6-hydroxyoct-7-enoic acid
CID 171116145
(E,6S)-8-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]-6-hydroxyoct-7-enoic acid
CID 171116151
(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
(Z)-6-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840676
(Z)-6-[(1S,2S,3S)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840669

Frequently Asked Questions

What is the IUPAC name of (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid?
The IUPAC name of (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid (CID 131840356) is (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid.
What is the SMILES notation for (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid?
The canonical SMILES for (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid is CC/C=C\C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)C/C=C\CCC(=O)O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid?
The InChIKey is HLOKCEDYFAXGRQ-AJKNYCCNSA-N. The full InChI is InChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20-,21+/m1/s1.
What are the key properties of (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid?
(4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid has a molecular weight of 378.51 g/mol, XLogP of 3.38, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7R,8E)-9-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]cyclopentyl]-7-hydroxynona-4,8-dienoic acid is sourced from PubChem (CID 131840356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).