8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid

C18H30O5 — CID 131839842

IUPAC8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid
SMILESCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m0/s1
InChIKeyMUKVIZSNYWHGCM-YXMOKRPYSA-N
MW326.43 g/mol
LogP2.69
Rot. Bonds11

About 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid

8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid (PubChem CID 131839842) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid.

Molecular Properties

Compound Name8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid
PubChem CID131839842
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid
SMILESCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m0/s1
InChIKeyMUKVIZSNYWHGCM-YXMOKRPYSA-N
XLogP2.69
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid with MolForge

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Related Compounds

(E,8S)-8-hydroxy-10-[(1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116223
5-[(1R,2S,5R)-5-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]pentanoic acid
CID 171116238
(E,6S)-6-hydroxy-8-[(1R,2S,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl]oct-7-enoic acid
CID 171116174
(5Z,8R,9E)-8-hydroxy-10-[(1S,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840003
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
(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
(2R,3R,4S)-4-hydroxy-3-(7-hydroxyheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 35021085
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,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-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840520
[(2R)-2-hydroxy-3-[7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoyloxy]propyl] dodecanoate
CID 157002910

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid?
The IUPAC name of 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid (CID 131839842) is 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid.
What is the SMILES notation for 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid?
The canonical SMILES for 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid is CC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCCC(=O)O.
What is the InChIKey of 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid?
The InChIKey is MUKVIZSNYWHGCM-YXMOKRPYSA-N. The full InChI is InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16+/m0/s1.
What are the key properties of 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid?
8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid has a molecular weight of 326.43 g/mol, XLogP of 2.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid is sourced from PubChem (CID 131839842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).