7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid

C20H32O4 — CID 67703843

IUPAC7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
SMILESO=C(O)CCCC=CC[C@@H]1[C@@H](C=CCCCCCCO)C=C[C@@H]1O
InChIInChI=1S/C20H32O4/c21-16-10-6-2-1-3-7-11-17-14-15-19(22)18(17)12-8-4-5-9-13-20(23)24/h4,7-8,11,14-15,17-19,21-22H,1-3,5-6,9-10,12-13,16H2,(H,23,24)/t17-,18+,19-/m0/s1
InChIKeyJCZQOUHYLGOGIS-OTWHNJEPSA-N
MW336.47 g/mol
LogP3.85
Rot. Bonds13

About 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid

7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid (PubChem CID 67703843) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
PubChem CID67703843
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
SMILESO=C(O)CCCC=CC[C@@H]1[C@@H](C=CCCCCCCO)C=C[C@@H]1O
InChIInChI=1S/C20H32O4/c21-16-10-6-2-1-3-7-11-17-14-15-19(22)18(17)12-8-4-5-9-13-20(23)24/h4,7-8,11,14-15,17-19,21-22H,1-3,5-6,9-10,12-13,16H2,(H,23,24)/t17-,18+,19-/m0/s1
InChIKeyJCZQOUHYLGOGIS-OTWHNJEPSA-N
XLogP3.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.85
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'}

Analyze 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol
CID 70114574
(Z)-7-[(1R,2S)-2-(8-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 67656884
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(E)-7-[(1S,2R,5S)-2-hydroxy-5-[(E)-oct-2-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
CID 102278603
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(E)-7-[2-[(E)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 154825399

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid?
The IUPAC name of 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid (CID 67703843) is 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid?
The canonical SMILES for 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid is O=C(O)CCCC=CC[C@@H]1[C@@H](C=CCCCCCCO)C=C[C@@H]1O.
What is the InChIKey of 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid?
The InChIKey is JCZQOUHYLGOGIS-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H32O4/c21-16-10-6-2-1-3-7-11-17-14-15-19(22)18(17)12-8-4-5-9-13-20(23)24/h4,7-8,11,14-15,17-19,21-22H,1-3,5-6,9-10,12-13,16H2,(H,23,24)/t17-,18+,19-/m0/s1.
What are the key properties of 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid?
7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid has a molecular weight of 336.47 g/mol, XLogP of 3.85, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 67703843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).