7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid

C20H38O3 — CID 22788958

IUPAC7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
SMILESCCCCC(O)CCC[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-14-19(21)15-9-13-18-12-8-11-17(18)10-6-4-5-7-16-20(22)23/h17-19,21H,2-16H2,1H3,(H,22,23)/t17-,18+,19?/m0/s1
InChIKeyCDURMMHZRYRSPG-PAMZHZACSA-N
MW326.52 g/mol
LogP5.55
Rot. Bonds14

About 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid

7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid (PubChem CID 22788958) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
PubChem CID22788958
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
SMILESCCCCC(O)CCC[C@H]1CCC[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-14-19(21)15-9-13-18-12-8-11-17(18)10-6-4-5-7-16-20(22)23/h17-19,21H,2-16H2,1H3,(H,22,23)/t17-,18+,19?/m0/s1
InChIKeyCDURMMHZRYRSPG-PAMZHZACSA-N
XLogP5.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-octylcyclopentyl)propanoic acid
CID 57357948
21-hydroxypentacosanoic acid
CID 169277058
7-[(1S,2R)-2-(4,4-dimethyloctyl)cyclopentyl]heptanoic acid
CID 18594595
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
14-hydroxypentacosanoic acid
CID 169276940
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid (CID 22788958) is 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid is CCCCC(O)CCC[C@H]1CCC[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid?
The InChIKey is CDURMMHZRYRSPG-PAMZHZACSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-14-19(21)15-9-13-18-12-8-11-17(18)10-6-4-5-7-16-20(22)23/h17-19,21H,2-16H2,1H3,(H,22,23)/t17-,18+,19?/m0/s1.
What are the key properties of 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid?
7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.55, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 22788958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).