6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid

C19H34O4 — CID 54051567

IUPAC6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
SMILESCCCC=CC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(=O)O
InChIInChI=1S/C19H34O4/c1-2-3-5-8-16(20)13-11-15-12-14-18(21)17(15)9-6-4-7-10-19(22)23/h5,8,15-18,20-21H,2-4,6-7,9-14H2,1H3,(H,22,23)/t15-,16?,17+,18-/m0/s1
InChIKeyLTFSPYLCCSXKEA-WOPUZOFWSA-N
MW326.48 g/mol
LogP3.91
Rot. Bonds12

About 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid

6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid (PubChem CID 54051567) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid.

Molecular Properties

Compound Name6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
PubChem CID54051567
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
SMILESCCCC=CC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(=O)O
InChIInChI=1S/C19H34O4/c1-2-3-5-8-16(20)13-11-15-12-14-18(21)17(15)9-6-4-7-10-19(22)23/h5,8,15-18,20-21H,2-4,6-7,9-14H2,1H3,(H,22,23)/t15-,16?,17+,18-/m0/s1
InChIKeyLTFSPYLCCSXKEA-WOPUZOFWSA-N
XLogP3.91
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid?
The IUPAC name of 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid (CID 54051567) is 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid.
What is the SMILES notation for 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid?
The canonical SMILES for 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid is CCCC=CC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(=O)O.
What is the InChIKey of 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid?
The InChIKey is LTFSPYLCCSXKEA-WOPUZOFWSA-N. The full InChI is InChI=1S/C19H34O4/c1-2-3-5-8-16(20)13-11-15-12-14-18(21)17(15)9-6-4-7-10-19(22)23/h5,8,15-18,20-21H,2-4,6-7,9-14H2,1H3,(H,22,23)/t15-,16?,17+,18-/m0/s1.
What are the key properties of 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid?
6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid has a molecular weight of 326.48 g/mol, XLogP of 3.91, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid is sourced from PubChem (CID 54051567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).